4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C19H19N5O2S — CID 175643422

IUPAC4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(Sc2ncccn2)CC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H19N5O2S/c25-17(15-12-22-16-4-1-2-11-24(16)18(15)26)23-13-5-7-14(8-6-13)27-19-20-9-3-10-21-19/h1-4,9-14H,5-8H2,(H,23,25)
InChIKeyOGCSPXOZRRJXHY-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.32
Rot. Bonds4

About 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 175643422) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID175643422
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(Sc2ncccn2)CC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H19N5O2S/c25-17(15-12-22-16-4-1-2-11-24(16)18(15)26)23-13-5-7-14(8-6-13)27-19-20-9-3-10-21-19/h1-4,9-14H,5-8H2,(H,23,25)
InChIKeyOGCSPXOZRRJXHY-UHFFFAOYSA-N
XLogP2.32
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-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

N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 70774435
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92701082
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95154221
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45219277
1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 44782767
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-(4-ethylcyclohexyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 136582264
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24791440
N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide
CID 175643647
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 175643422) is 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCC(Sc2ncccn2)CC1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OGCSPXOZRRJXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-17(15-12-22-16-4-1-2-11-24(16)18(15)26)23-13-5-7-14(8-6-13)27-19-20-9-3-10-21-19/h1-4,9-14H,5-8H2,(H,23,25).
What are the key properties of 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 175643422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).