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

C11H10N2O2 — CID 608706

IUPAC5-methoxy-2-phenyl-1H-pyrimidin-6-one
SMILESCOc1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H10N2O2/c1-15-9-7-12-10(13-11(9)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14)
InChIKeyKTVNCFXEBFMNJX-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.45
Rot. Bonds2

About 5-methoxy-2-phenyl-1H-pyrimidin-6-one

5-methoxy-2-phenyl-1H-pyrimidin-6-one (PubChem CID 608706) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-2-phenyl-1H-pyrimidin-6-one
PubChem CID608706
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-methoxy-2-phenyl-1H-pyrimidin-6-one
SMILESCOc1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H10N2O2/c1-15-9-7-12-10(13-11(9)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14)
InChIKeyKTVNCFXEBFMNJX-UHFFFAOYSA-N
XLogP1.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-2-phenyl-1H-pyrimidin-6-one (CID 608706) is 5-methoxy-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-2-phenyl-1H-pyrimidin-6-one is COc1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 5-methoxy-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is KTVNCFXEBFMNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-9-7-12-10(13-11(9)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14).
What are the key properties of 5-methoxy-2-phenyl-1H-pyrimidin-6-one?
5-methoxy-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 202.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 608706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).