3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one

C16H10Cl2N2O — CID 3021391

IUPAC3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-12-7-4-8-13(18)15(12)20-14(21)9-10-19-16(20)11-5-2-1-3-6-11/h1-10H
InChIKeyPXEKUYOMJRZTGC-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.21
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one

3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one (PubChem CID 3021391) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one
PubChem CID3021391
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-12-7-4-8-13(18)15(12)20-14(21)9-10-19-16(20)11-5-2-1-3-6-11/h1-10H
InChIKeyPXEKUYOMJRZTGC-UHFFFAOYSA-N
XLogP4.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one (CID 3021391) is 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one is O=c1ccnc(-c2ccccc2)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one?
The InChIKey is PXEKUYOMJRZTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-12-7-4-8-13(18)15(12)20-14(21)9-10-19-16(20)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one?
3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one has a molecular weight of 317.18 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one is sourced from PubChem (CID 3021391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).