6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide

C22H26N4OS — CID 50847370

IUPAC6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H26N4OS/c1-14(2)16-7-9-17(10-8-16)25-21(27)18-15(3)28-22-19(18)20(23-13-24-22)26-11-5-4-6-12-26/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,25,27)
InChIKeyMSGBWKNRWNSVLN-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.37
Rot. Bonds4

About 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 50847370) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID50847370
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H26N4OS/c1-14(2)16-7-9-17(10-8-16)25-21(27)18-15(3)28-22-19(18)20(23-13-24-22)26-11-5-4-6-12-26/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,25,27)
InChIKeyMSGBWKNRWNSVLN-UHFFFAOYSA-N
XLogP5.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(3-bromophenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847314
N-(2-chloro-5-methylphenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847384
4-(azepan-1-yl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847291
4-(azepan-1-yl)-N-(2-ethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847391
4-(azepan-1-yl)-N-(5-fluoro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847348
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
5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 22330690
N-[(2-chlorophenyl)methyl]-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847287
4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methyl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 22330642

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 50847370) is 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide is Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MSGBWKNRWNSVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-14(2)16-7-9-17(10-8-16)25-21(27)18-15(3)28-22-19(18)20(23-13-24-22)26-11-5-4-6-12-26/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,25,27).
What are the key properties of 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 50847370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).