N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide

C15H15ClN4O3S — CID 109260888

IUPACN-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C15H15ClN4O3S/c16-12-3-1-2-4-13(12)20-14(21)10-7-17-15(18-8-10)19-11-5-6-24(22,23)9-11/h1-4,7-8,11H,5-6,9H2,(H,20,21)(H,17,18,19)
InChIKeyYIGHBCZEZWIPQV-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.98
Rot. Bonds4

About N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide

N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 109260888) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
PubChem CID109260888
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC NameN-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C15H15ClN4O3S/c16-12-3-1-2-4-13(12)20-14(21)10-7-17-15(18-8-10)19-11-5-6-24(22,23)9-11/h1-4,7-8,11H,5-6,9H2,(H,20,21)(H,17,18,19)
InChIKeyYIGHBCZEZWIPQV-UHFFFAOYSA-N
XLogP1.98
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109106515
N-(5-chloro-2-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260898
N-(2,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260870
N-(3,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260872
2-[(1,1-dioxothiolan-3-yl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109260918
4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
CID 102566657
2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109247501
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
N-(2-chlorophenyl)-1,1-dioxothian-3-amine
CID 63910258

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide (CID 109260888) is N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(NC2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is YIGHBCZEZWIPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c16-12-3-1-2-4-13(12)20-14(21)10-7-17-15(18-8-10)19-11-5-6-24(22,23)9-11/h1-4,7-8,11H,5-6,9H2,(H,20,21)(H,17,18,19).
What are the key properties of N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 366.83 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).