6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide

C21H24N4OS — CID 92901168

IUPAC6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1c(C)sc2ncnc(N3CCC[C@@H](C)C3)c12
InChIInChI=1S/C21H24N4OS/c1-13-7-6-10-25(11-13)19-18-17(15(3)27-21(18)23-12-22-19)20(26)24-16-9-5-4-8-14(16)2/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyTULLRXRNLASFTP-CYBMUJFWSA-N
MW380.52 g/mol
LogP4.80
Rot. Bonds3

About 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide

6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 92901168) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID92901168
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1c(C)sc2ncnc(N3CCC[C@@H](C)C3)c12
InChIInChI=1S/C21H24N4OS/c1-13-7-6-10-25(11-13)19-18-17(15(3)27-21(18)23-12-22-19)20(26)24-16-9-5-4-8-14(16)2/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyTULLRXRNLASFTP-CYBMUJFWSA-N
XLogP4.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(4-bromophenyl)-6-methyl-4-[(3S)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 95050552
6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 95058386
N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 95050557
4-(azepan-1-yl)-N-(2-ethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847391
4-(azepan-1-yl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847291
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(azepan-1-yl)-N-(5-fluoro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847348
N-(4-chlorophenyl)-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847461
N-(2-chloro-5-methylphenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847384
N-(4-bromophenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847339
N-(3-bromophenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847314
ethyl 5-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4293981

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 92901168) is 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide is Cc1ccccc1NC(=O)c1c(C)sc2ncnc(N3CCC[C@@H](C)C3)c12.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is TULLRXRNLASFTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-13-7-6-10-25(11-13)19-18-17(15(3)27-21(18)23-12-22-19)20(26)24-16-9-5-4-8-14(16)2/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,24,26)/t13-/m1/s1.
What are the key properties of 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide?
6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 92901168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).