6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one

C14H16ClN3O — CID 114584819

IUPAC6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CCc1ccccn1
InChIInChI=1S/C14H16ClN3O/c1-10(2)14-17-12(15)9-13(19)18(14)8-6-11-5-3-4-7-16-11/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyRJJKXYHXLLLCOI-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.66
Rot. Bonds4

About 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one

6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one (PubChem CID 114584819) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
PubChem CID114584819
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CCc1ccccn1
InChIInChI=1S/C14H16ClN3O/c1-10(2)14-17-12(15)9-13(19)18(14)8-6-11-5-3-4-7-16-11/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyRJJKXYHXLLLCOI-UHFFFAOYSA-N
XLogP2.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one 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

6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 103013478
6-chloro-3-[2-(2-oxo-1-pyridinyl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584994
6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one
CID 114584956
6-chloro-2-propan-2-yl-3-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-one
CID 114584954
6-chloro-3-(4,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
CID 114210085
2-methoxy-6-methyl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
CID 79375277
6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584888
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-methylpropanamide
CID 114585014
3-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-propan-2-ylpyrimidin-4-one
CID 114585062
6-chloro-3-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-one
CID 114584988
6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
CID 106439758
2-(1-chloroethyl)-7-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 79275874

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one (CID 114584819) is 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one is CC(C)c1nc(Cl)cc(=O)n1CCc1ccccn1.
What is the InChIKey of 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one?
The InChIKey is RJJKXYHXLLLCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10(2)14-17-12(15)9-13(19)18(14)8-6-11-5-3-4-7-16-11/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one?
6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one has a molecular weight of 277.75 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114584819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).