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

C21H24N4O2S — CID 95050557

IUPACN-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c23)c1
InChIInChI=1S/C21H24N4O2S/c1-13-6-5-9-25(11-13)19-18-17(14(2)28-21(18)23-12-22-19)20(26)24-15-7-4-8-16(10-15)27-3/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyADGQLVJBOJIKSL-CYBMUJFWSA-N
MW396.52 g/mol
LogP4.50
Rot. Bonds4

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

N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 95050557) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID95050557
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c23)c1
InChIInChI=1S/C21H24N4O2S/c1-13-6-5-9-25(11-13)19-18-17(14(2)28-21(18)23-12-22-19)20(26)24-15-7-4-8-16(10-15)27-3/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyADGQLVJBOJIKSL-CYBMUJFWSA-N
XLogP4.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 92901168
N-(3-bromophenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847314
N-(3-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 112847330
[2-(3-methoxyanilino)-2-oxoethyl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 55373611
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
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
ethyl 5-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4293981
3,5-dimethoxy-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 113015617

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 95050557) is N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide is COc1cccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ADGQLVJBOJIKSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13-6-5-9-25(11-13)19-18-17(14(2)28-21(18)23-12-22-19)20(26)24-15-7-4-8-16(10-15)27-3/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,24,26)/t13-/m1/s1.
What are the key properties of N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide?
N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-methyl-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 95050557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).