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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1CCC2=C(C1)SC3=NC=NC(=C23)NCC4=CC=CO4 |
|---|---|
| IUPAC Name | N-(furan-2-ylmethyl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
| InChIKey | OCBXSMLYAGLUIF-UHFFFAOYSA-N |
| INCHI | 1S/C16H17N3OS/c1-10-4-5-12-13(7-10)21-16-14(12)15(18-9-19-16)17-8-11-3-2-6-20-11/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,17,18,19) |
| Molecular Weight | 299.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Thiophenes Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Imidolactam - Furan - Heteroaromatic compound - Thiophene - Secondary amine - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 299.400 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 299.109 Da |
| Monoisotopic Mass | 299.109 Da |
| Topological Polar Surface Area | 79.200 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 369.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![N-[(furan-2-yl)methyl]-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-amine , CAS No.315677-99-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)