5-chloro-2,4-diphenyl-1H-pyrimidin-6-one

C16H11ClN2O — CID 135494913

IUPAC5-chloro-2,4-diphenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(-c2ccccc2)c1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-14(11-7-3-1-4-8-11)18-15(19-16(13)20)12-9-5-2-6-10-12/h1-10H,(H,18,19,20)
InChIKeyPTBHEWNIFRUQRD-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.76
Rot. Bonds2

About 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one

5-chloro-2,4-diphenyl-1H-pyrimidin-6-one (PubChem CID 135494913) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2,4-diphenyl-1H-pyrimidin-6-one
PubChem CID135494913
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name5-chloro-2,4-diphenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(-c2ccccc2)c1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-14(11-7-3-1-4-8-11)18-15(19-16(13)20)12-9-5-2-6-10-12/h1-10H,(H,18,19,20)
InChIKeyPTBHEWNIFRUQRD-UHFFFAOYSA-N
XLogP3.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one (CID 135494913) is 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccc2)nc(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one?
The InChIKey is PTBHEWNIFRUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-14(11-7-3-1-4-8-11)18-15(19-16(13)20)12-9-5-2-6-10-12/h1-10H,(H,18,19,20).
What are the key properties of 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one?
5-chloro-2,4-diphenyl-1H-pyrimidin-6-one has a molecular weight of 282.73 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-diphenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135494913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).