5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C20H29N5OS — CID 46344703

IUPAC5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)sc2ncnc(N3CCN(C)CC3)c12
InChIInChI=1S/C20H29N5OS/c1-13-4-6-15(7-5-13)23-19(26)17-14(2)16-18(21-12-22-20(16)27-17)25-10-8-24(3)9-11-25/h12-13,15H,4-11H2,1-3H3,(H,23,26)
InChIKeyBBVQLALZCYBEAI-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.06
Rot. Bonds3

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

5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46344703) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is 5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46344703
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Name5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)sc2ncnc(N3CCN(C)CC3)c12
InChIInChI=1S/C20H29N5OS/c1-13-4-6-15(7-5-13)23-19(26)17-14(2)16-18(21-12-22-20(16)27-17)25-10-8-24(3)9-11-25/h12-13,15H,4-11H2,1-3H3,(H,23,26)
InChIKeyBBVQLALZCYBEAI-UHFFFAOYSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854788
N-(2-methoxyethyl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344626
5-methyl-4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344630
N-(4-fluorophenyl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344605
5-methyl-4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344725
[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 5236670
5-methyl-N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344683
4-(azepan-1-yl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 22585772
5-methyl-4-(4-methylpiperazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344718
[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46344660
5-methyl-N-[3-(N-methylanilino)propyl]-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344750
(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 46344644

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 46344703) is 5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CCC(C)CC2)sc2ncnc(N3CCN(C)CC3)c12.
What is the InChIKey of 5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BBVQLALZCYBEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-13-4-6-15(7-5-13)23-19(26)17-14(2)16-18(21-12-22-20(16)27-17)25-10-8-24(3)9-11-25/h12-13,15H,4-11H2,1-3H3,(H,23,26).
What are the key properties of 5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46344703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).