4-methyl-1-phenylmethoxypyrimidin-2-one

C12H12N2O2 — CID 15649409

IUPAC4-methyl-1-phenylmethoxypyrimidin-2-one
SMILESCc1ccn(OCc2ccccc2)c(=O)n1
InChIInChI=1S/C12H12N2O2/c1-10-7-8-14(12(15)13-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyHCVHUWQREWGZRJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.18
Rot. Bonds3

About 4-methyl-1-phenylmethoxypyrimidin-2-one

4-methyl-1-phenylmethoxypyrimidin-2-one (PubChem CID 15649409) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-methyl-1-phenylmethoxypyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-phenylmethoxypyrimidin-2-one
PubChem CID15649409
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-methyl-1-phenylmethoxypyrimidin-2-one
SMILESCc1ccn(OCc2ccccc2)c(=O)n1
InChIInChI=1S/C12H12N2O2/c1-10-7-8-14(12(15)13-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyHCVHUWQREWGZRJ-UHFFFAOYSA-N
XLogP1.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylmethoxypyrimidin-2-one?
The IUPAC name of 4-methyl-1-phenylmethoxypyrimidin-2-one (CID 15649409) is 4-methyl-1-phenylmethoxypyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-phenylmethoxypyrimidin-2-one?
The canonical SMILES for 4-methyl-1-phenylmethoxypyrimidin-2-one is Cc1ccn(OCc2ccccc2)c(=O)n1.
What is the InChIKey of 4-methyl-1-phenylmethoxypyrimidin-2-one?
The InChIKey is HCVHUWQREWGZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-10-7-8-14(12(15)13-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 4-methyl-1-phenylmethoxypyrimidin-2-one?
4-methyl-1-phenylmethoxypyrimidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylmethoxypyrimidin-2-one is sourced from PubChem (CID 15649409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).