5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one

C15H10ClN3O — CID 58772850

IUPAC5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C15H10ClN3O/c16-12-3-1-10(2-4-12)13-9-18-15(20)19-14(13)11-5-7-17-8-6-11/h1-9H,(H,18,19,20)
InChIKeyPNMRQZYCFFKOQU-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.15
Rot. Bonds2

About 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one

5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one (PubChem CID 58772850) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one
PubChem CID58772850
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C15H10ClN3O/c16-12-3-1-10(2-4-12)13-9-18-15(20)19-14(13)11-5-7-17-8-6-11/h1-9H,(H,18,19,20)
InChIKeyPNMRQZYCFFKOQU-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one (CID 58772850) is 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one is O=c1ncc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one?
The InChIKey is PNMRQZYCFFKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-12-3-1-10(2-4-12)13-9-18-15(20)19-14(13)11-5-7-17-8-6-11/h1-9H,(H,18,19,20).
What are the key properties of 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one?
5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one has a molecular weight of 283.72 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 58772850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).