2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide

C15H21N5O4S — CID 109303004

IUPAC2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nccc(C(=O)NC3CCS(=O)(=O)C3)n2)CC1
InChIInChI=1S/C15H21N5O4S/c1-11(21)19-5-7-20(8-6-19)15-16-4-2-13(18-15)14(22)17-12-3-9-25(23,24)10-12/h2,4,12H,3,5-10H2,1H3,(H,17,22)
InChIKeyJVWARKFYFPPEEA-UHFFFAOYSA-N
MW367.43 g/mol
LogP-0.94
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide

2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide (PubChem CID 109303004) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
PubChem CID109303004
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nccc(C(=O)NC3CCS(=O)(=O)C3)n2)CC1
InChIInChI=1S/C15H21N5O4S/c1-11(21)19-5-7-20(8-6-19)15-16-4-2-13(18-15)14(22)17-12-3-9-25(23,24)10-12/h2,4,12H,3,5-10H2,1H3,(H,17,22)
InChIKeyJVWARKFYFPPEEA-UHFFFAOYSA-N
XLogP-0.94
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

ethyl 4-[4-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 109309204
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302398
2-(cycloheptylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109309208
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025
2-(3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109309228
N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109295782
N-(1,1-dioxothiolan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884026
N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 110689494
2-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109303109
N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307464

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide (CID 109303004) is 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide is CC(=O)N1CCN(c2nccc(C(=O)NC3CCS(=O)(=O)C3)n2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide?
The InChIKey is JVWARKFYFPPEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-11(21)19-5-7-20(8-6-19)15-16-4-2-13(18-15)14(22)17-12-3-9-25(23,24)10-12/h2,4,12H,3,5-10H2,1H3,(H,17,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).