2-chloro-4-phenyl-1H-pyrimidin-6-one

C10H7ClN2O — CID 135621451

IUPAC2-chloro-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(Cl)[nH]1
InChIInChI=1S/C10H7ClN2O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyKZICQWCTHPUYDT-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.09
Rot. Bonds1

About 2-chloro-4-phenyl-1H-pyrimidin-6-one

2-chloro-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135621451) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-chloro-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-4-phenyl-1H-pyrimidin-6-one
PubChem CID135621451
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name2-chloro-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(Cl)[nH]1
InChIInChI=1S/C10H7ClN2O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyKZICQWCTHPUYDT-UHFFFAOYSA-N
XLogP2.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bropirimine
CID 135413497
2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-Amino-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 135724997
2-(methylthio)-6-phenylpyrimidin-4(3H)-one
CID 135408535
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
2-(ethylthio)-6-phenyl-1H-pyrimidin-4-one
CID 135406353
4(1H)-Pyrimidinone, 2-amino-5-chloro-6-phenyl-
CID 135480622
3-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)benzonitrile
CID 135581560
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-4-phenyl-1H-pyrimidin-6-one (CID 135621451) is 2-chloro-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(Cl)[nH]1.
What is the InChIKey of 2-chloro-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is KZICQWCTHPUYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,14).
What are the key properties of 2-chloro-4-phenyl-1H-pyrimidin-6-one?
2-chloro-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 206.63 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135621451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).