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

C10H8N2O — CID 135418832

IUPAC4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc[nH]1
InChIInChI=1S/C10H8N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyOATNBMJACLEOTB-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.44
Rot. Bonds1

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

4-phenyl-1H-pyrimidin-6-one (PubChem CID 135418832) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-phenyl-1H-pyrimidin-6-one
PubChem CID135418832
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc[nH]1
InChIInChI=1S/C10H8N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyOATNBMJACLEOTB-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 4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-phenyl-1H-pyrimidin-6-one (CID 135418832) is 4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc[nH]1.
What is the InChIKey of 4-phenyl-1H-pyrimidin-6-one?
The InChIKey is OATNBMJACLEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13).
What are the key properties of 4-phenyl-1H-pyrimidin-6-one?
4-phenyl-1H-pyrimidin-6-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 4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).