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

C21H25N3O2S — CID 24628423

IUPAC2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C
InChIInChI=1S/C21H25N3O2S/c1-12-16-13(2)23-20(21(3,4)5)24-19(16)27-17(12)18(25)22-11-14-9-7-8-10-15(14)26-6/h7-10H,11H2,1-6H3,(H,22,25)
InChIKeyAVECKZLGFFWWMT-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.54
Rot. Bonds4

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

2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24628423) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24628423
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C
InChIInChI=1S/C21H25N3O2S/c1-12-16-13(2)23-20(21(3,4)5)24-19(16)27-17(12)18(25)22-11-14-9-7-8-10-15(14)26-6/h7-10H,11H2,1-6H3,(H,22,25)
InChIKeyAVECKZLGFFWWMT-UHFFFAOYSA-N
XLogP4.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-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-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 71888118
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628421
N-(1,3-benzothiazol-2-ylmethyl)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18270421
N-[[2-(difluoromethoxy)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057254
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567641
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-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30376117
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676639
2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18209236
2-tert-butyl-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30797052

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 24628423) is 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccccc1CNC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C.
What is the InChIKey of 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AVECKZLGFFWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-12-16-13(2)23-20(21(3,4)5)24-19(16)27-17(12)18(25)22-11-14-9-7-8-10-15(14)26-6/h7-10H,11H2,1-6H3,(H,22,25).
What are the key properties of 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24628423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).