N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C16H14ClN3O2S — CID 39084644

IUPACN-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2sc(C(=O)NCc3ccccc3Cl)c(C)c2c(=O)[nH]1
InChIInChI=1S/C16H14ClN3O2S/c1-8-12-14(21)19-9(2)20-16(12)23-13(8)15(22)18-7-10-5-3-4-6-11(10)17/h3-6H,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyGTPKJSCTEKLERM-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.18
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 39084644) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID39084644
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2sc(C(=O)NCc3ccccc3Cl)c(C)c2c(=O)[nH]1
InChIInChI=1S/C16H14ClN3O2S/c1-8-12-14(21)19-9(2)20-16(12)23-13(8)15(22)18-7-10-5-3-4-6-11(10)17/h3-6H,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyGTPKJSCTEKLERM-UHFFFAOYSA-N
XLogP3.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3420153
ethyl 2-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2103936
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625426
2-benzyl-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 24544332
N-(2-methoxyphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28867954
2-benzyl-5-methyl-4-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 24551317
2-benzyl-N-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084159
ethyl 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate
CID 4991098
N-cyclopropyl-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084641
(2-methoxyphenyl)methyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625370
2-(2-chlorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28868511
N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696299

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 39084644) is N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc2sc(C(=O)NCc3ccccc3Cl)c(C)c2c(=O)[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GTPKJSCTEKLERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-8-12-14(21)19-9(2)20-16(12)23-13(8)15(22)18-7-10-5-3-4-6-11(10)17/h3-6H,7H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 39084644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).