2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C16H19N5OS — CID 24675463

IUPAC2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3c(C)nn(C)c3C)sc2n1
InChIInChI=1S/C16H19N5OS/c1-7-12-8(2)17-11(5)18-16(12)23-14(7)15(22)19-13-9(3)20-21(6)10(13)4/h1-6H3,(H,19,22)
InChIKeyJLJXBUZVBGAWIH-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.22
Rot. Bonds2

About 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide

2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24675463) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24675463
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3c(C)nn(C)c3C)sc2n1
InChIInChI=1S/C16H19N5OS/c1-7-12-8(2)17-11(5)18-16(12)23-14(7)15(22)19-13-9(3)20-21(6)10(13)4/h1-6H3,(H,19,22)
InChIKeyJLJXBUZVBGAWIH-UHFFFAOYSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56502211
2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 47154179
2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46564228
N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46571134
2,4,5-trimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56501551
N-ethyl-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134063367
2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 55555037
N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56500888
ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
CID 56500611
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 24655008

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24675463) is 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)Nc3c(C)nn(C)c3C)sc2n1.
What is the InChIKey of 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JLJXBUZVBGAWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-7-12-8(2)17-11(5)18-16(12)23-14(7)15(22)19-13-9(3)20-21(6)10(13)4/h1-6H3,(H,19,22).
What are the key properties of 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24675463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).