5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C16H20N4O3S — CID 735006

IUPAC5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12
InChIInChI=1S/C16H20N4O3S/c1-9-3-5-19(6-4-9)11(21)7-20-8-18-15-12(16(20)23)10(2)13(24-15)14(17)22/h8-9H,3-7H2,1-2H3,(H2,17,22)
InChIKeyPKCMNKVXCPIOQQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.12
Rot. Bonds3

About 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 735006) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID735006
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12
InChIInChI=1S/C16H20N4O3S/c1-9-3-5-19(6-4-9)11(21)7-20-8-18-15-12(16(20)23)10(2)13(24-15)14(17)22/h8-9H,3-7H2,1-2H3,(H2,17,22)
InChIKeyPKCMNKVXCPIOQQ-UHFFFAOYSA-N
XLogP1.12
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 735006) is 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(N)=O)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12.
What is the InChIKey of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PKCMNKVXCPIOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-9-3-5-19(6-4-9)11(21)7-20-8-18-15-12(16(20)23)10(2)13(24-15)14(17)22/h8-9H,3-7H2,1-2H3,(H2,17,22).
What are the key properties of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 735006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).