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

C10H7ClN2O — CID 66545646

IUPAC6-(4-chlorophenyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKeyQVMZZINUMSPAPF-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.09
Rot. Bonds1

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

6-(4-chlorophenyl)-1H-pyrimidin-2-one (PubChem CID 66545646) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1H-pyrimidin-2-one
PubChem CID66545646
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name6-(4-chlorophenyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKeyQVMZZINUMSPAPF-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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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-1H-pyrimidin-2-one (CID 66545646) is 6-(4-chlorophenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-1H-pyrimidin-2-one is O=c1nccc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 6-(4-chlorophenyl)-1H-pyrimidin-2-one?
The InChIKey is QVMZZINUMSPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14).
What are the key properties of 6-(4-chlorophenyl)-1H-pyrimidin-2-one?
6-(4-chlorophenyl)-1H-pyrimidin-2-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 6-(4-chlorophenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 66545646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).