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

C10H8N2O — CID 599076

IUPAC6-phenyl-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H8N2O/c13-10-11-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyLDORHCBMWSQLIU-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.44
Rot. Bonds1

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

6-phenyl-1H-pyrimidin-2-one (PubChem CID 599076) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 6-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-phenyl-1H-pyrimidin-2-one
PubChem CID599076
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name6-phenyl-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H8N2O/c13-10-11-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyLDORHCBMWSQLIU-UHFFFAOYSA-N
XLogP1.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-phenyl-1H-pyrimidin-2-one (CID 599076) is 6-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-phenyl-1H-pyrimidin-2-one is O=c1nccc(-c2ccccc2)[nH]1.
What is the InChIKey of 6-phenyl-1H-pyrimidin-2-one?
The InChIKey is LDORHCBMWSQLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-10-11-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13).
What are the key properties of 6-phenyl-1H-pyrimidin-2-one?
6-phenyl-1H-pyrimidin-2-one has a molecular weight of 172.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 599076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).