4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one

C16H10Cl2N2O — CID 628892

IUPAC4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C16H10Cl2N2O/c17-12-5-1-10(2-6-12)14-9-15(20-16(21)19-14)11-3-7-13(18)8-4-11/h1-9H,(H,19,20,21)
InChIKeyGOFCVWIRKSTPDZ-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.41
Rot. Bonds2

About 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one

4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one (PubChem CID 628892) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one
PubChem CID628892
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C16H10Cl2N2O/c17-12-5-1-10(2-6-12)14-9-15(20-16(21)19-14)11-3-7-13(18)8-4-11/h1-9H,(H,19,20,21)
InChIKeyGOFCVWIRKSTPDZ-UHFFFAOYSA-N
XLogP4.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one?
The IUPAC name of 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one (CID 628892) is 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one is O=c1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one?
The InChIKey is GOFCVWIRKSTPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-12-5-1-10(2-6-12)14-9-15(20-16(21)19-14)11-3-7-13(18)8-4-11/h1-9H,(H,19,20,21).
What are the key properties of 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one?
4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one has a molecular weight of 317.18 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-chlorophenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 628892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).