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

C21H24N4OS2 — CID 95058386

IUPAC6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCSc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c23)cc1
InChIInChI=1S/C21H24N4OS2/c1-13-5-4-10-25(11-13)19-18-17(14(2)28-21(18)23-12-22-19)20(26)24-15-6-8-16(27-3)9-7-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyCGYFDQFAYHFAJT-CYBMUJFWSA-N
MW412.58 g/mol
LogP5.21
Rot. Bonds4

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

6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 95058386) has the molecular formula C21H24N4OS2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID95058386
Molecular FormulaC21H24N4OS2
Molecular Weight412.58 g/mol
Exact Mass412.14
IUPAC Name6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCSc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c23)cc1
InChIInChI=1S/C21H24N4OS2/c1-13-5-4-10-25(11-13)19-18-17(14(2)28-21(18)23-12-22-19)20(26)24-15-6-8-16(27-3)9-7-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyCGYFDQFAYHFAJT-CYBMUJFWSA-N
XLogP5.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)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-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 92901168
N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 95050557
N-(4-chlorophenyl)-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847461
N-(4-bromophenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847339
6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 50847370
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
N-(3-bromophenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847314
4-(azepan-1-yl)-N-(5-fluoro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847348
4-(azepan-1-yl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847291
ethyl 5-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4293981
4-(azepan-1-yl)-N-(2-ethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847391

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 95058386) is 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide is CSc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c23)cc1.
What is the InChIKey of 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CGYFDQFAYHFAJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24N4OS2/c1-13-5-4-10-25(11-13)19-18-17(14(2)28-21(18)23-12-22-19)20(26)24-15-6-8-16(27-3)9-7-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,24,26)/t13-/m1/s1.
What are the key properties of 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 95058386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).