2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide

C12H16N4O3S — CID 109247501

IUPAC2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cnc(NC2CC2)nc1
InChIInChI=1S/C12H16N4O3S/c17-11(15-10-3-4-20(18,19)7-10)8-5-13-12(14-6-8)16-9-1-2-9/h5-6,9-10H,1-4,7H2,(H,15,17)(H,13,14,16)
InChIKeyHMOTWDFCOVURPI-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.03
Rot. Bonds4

About 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide

2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide (PubChem CID 109247501) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
PubChem CID109247501
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cnc(NC2CC2)nc1
InChIInChI=1S/C12H16N4O3S/c17-11(15-10-3-4-20(18,19)7-10)8-5-13-12(14-6-8)16-9-1-2-9/h5-6,9-10H,1-4,7H2,(H,15,17)(H,13,14,16)
InChIKeyHMOTWDFCOVURPI-UHFFFAOYSA-N
XLogP-0.03
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109252887
N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259247
N-(1,1-dioxothiolan-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259509
N-(3,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260872
N-(2,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260870
2-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260020
2-(3-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109260824
N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260888
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
N-[2-(cyclohexen-1-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109251047
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
2-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109256762

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide (CID 109247501) is 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cnc(NC2CC2)nc1.
What is the InChIKey of 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide?
The InChIKey is HMOTWDFCOVURPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c17-11(15-10-3-4-20(18,19)7-10)8-5-13-12(14-6-8)16-9-1-2-9/h5-6,9-10H,1-4,7H2,(H,15,17)(H,13,14,16).
What are the key properties of 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide?
2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide has a molecular weight of 296.35 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).