2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C21H24N4O2S — CID 56796164

IUPAC2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c1C(N)=O
InChIInChI=1S/C21H24N4O2S/c1-10-8-7-9-13(14(10)17(22)26)24-18(27)16-11(2)15-12(3)23-20(21(4,5)6)25-19(15)28-16/h7-9H,1-6H3,(H2,22,26)(H,24,27)
InChIKeyKKXIDWJZNNKZBD-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.27
Rot. Bonds3

About 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56796164) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56796164
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c1C(N)=O
InChIInChI=1S/C21H24N4O2S/c1-10-8-7-9-13(14(10)17(22)26)24-18(27)16-11(2)15-12(3)23-20(21(4,5)6)25-19(15)28-16/h7-9H,1-6H3,(H2,22,26)(H,24,27)
InChIKeyKKXIDWJZNNKZBD-UHFFFAOYSA-N
XLogP4.27
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[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

2-tert-butyl-N-(2-ethylsulfonylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51113887
N-(4-acetamido-3-methylphenyl)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46550672
2-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 71888118
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30376117
2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628423
2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628588
2-tert-butyl-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46540590
N-(1,3-benzothiazol-2-ylmethyl)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18270421
2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18208934
2-tert-butyl-4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18286297
2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46517817

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 56796164) is 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1cccc(NC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c1C(N)=O.
What is the InChIKey of 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KKXIDWJZNNKZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-10-8-7-9-13(14(10)17(22)26)24-18(27)16-11(2)15-12(3)23-20(21(4,5)6)25-19(15)28-16/h7-9H,1-6H3,(H2,22,26)(H,24,27).
What are the key properties of 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56796164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).