2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H22N4OS2 — CID 46363911

IUPAC2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCCCC2)c2c(C)c(C(=O)NCc3cccs3)sc2n1
InChIInChI=1S/C19H22N4OS2/c1-12-15-17(23-8-4-3-5-9-23)21-13(2)22-19(15)26-16(12)18(24)20-11-14-7-6-10-25-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,24)
InChIKeyODSVPQKUSSBABV-UHFFFAOYSA-N
MW386.55 g/mol
LogP4.29
Rot. Bonds4

About 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46363911) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46363911
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC Name2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCCCC2)c2c(C)c(C(=O)NCc3cccs3)sc2n1
InChIInChI=1S/C19H22N4OS2/c1-12-15-17(23-8-4-3-5-9-23)21-13(2)22-19(15)26-16(12)18(24)20-11-14-7-6-10-25-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,24)
InChIKeyODSVPQKUSSBABV-UHFFFAOYSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363913
N-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363919
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567884
N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567641
2,5-dimethyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363858
N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567886
N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3420153
4-(azepan-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854888
4-(azepan-1-yl)-N-benzyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 22585757
N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363857
4-(azocan-1-yl)-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26338976
N-butyl-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 126479654

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 46363911) is 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N2CCCCC2)c2c(C)c(C(=O)NCc3cccs3)sc2n1.
What is the InChIKey of 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ODSVPQKUSSBABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-12-15-17(23-8-4-3-5-9-23)21-13(2)22-19(15)26-16(12)18(24)20-11-14-7-6-10-25-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,24).
What are the key properties of 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 386.55 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).