3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide

C18H25N3O2S — CID 47077290

IUPAC3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide
SMILESCc1sc2nc(CCC(=O)NC3CCCC(C)C3)[nH]c(=O)c2c1C
InChIInChI=1S/C18H25N3O2S/c1-10-5-4-6-13(9-10)19-15(22)8-7-14-20-17(23)16-11(2)12(3)24-18(16)21-14/h10,13H,4-9H2,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyVNMQPSIJOHZVTM-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.23
Rot. Bonds4

About 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide

3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide (PubChem CID 47077290) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide
PubChem CID47077290
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide
SMILESCc1sc2nc(CCC(=O)NC3CCCC(C)C3)[nH]c(=O)c2c1C
InChIInChI=1S/C18H25N3O2S/c1-10-5-4-6-13(9-10)19-15(22)8-7-14-20-17(23)16-11(2)12(3)24-18(16)21-14/h10,13H,4-9H2,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyVNMQPSIJOHZVTM-UHFFFAOYSA-N
XLogP3.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide?
The IUPAC name of 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide (CID 47077290) is 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide is Cc1sc2nc(CCC(=O)NC3CCCC(C)C3)[nH]c(=O)c2c1C.
What is the InChIKey of 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide?
The InChIKey is VNMQPSIJOHZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-10-5-4-6-13(9-10)19-15(22)8-7-14-20-17(23)16-11(2)12(3)24-18(16)21-14/h10,13H,4-9H2,1-3H3,(H,19,22)(H,20,21,23).
What are the key properties of 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide?
3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide has a molecular weight of 347.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide is sourced from PubChem (CID 47077290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).