5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one

C12H12N2O2 — CID 18959450

IUPAC5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one
SMILESCc1cnc(=O)[nH]c1OCc1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9-7-13-12(15)14-11(9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyQRMRZELTMHWHQL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.66
Rot. Bonds3

About 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one

5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one (PubChem CID 18959450) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one
PubChem CID18959450
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one
SMILESCc1cnc(=O)[nH]c1OCc1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9-7-13-12(15)14-11(9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyQRMRZELTMHWHQL-UHFFFAOYSA-N
XLogP1.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174589199
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4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
CID 166140574
5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione
CID 152634012
5-amino-2-phenylmethoxy-1H-pyrimidin-6-one
CID 141435481
3,4-dimethyl-5-phenylmethoxypyridine
CID 70023630
methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate
CID 69427072
3-amino-2-phenylmethoxy-1H-quinolin-4-one
CID 67393102
2-methyl-5-phenylmethoxypyrazine
CID 129054090
3-methyl-5-(4-phenylmethoxyphenyl)-1H-pyridin-2-one
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2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one?
The IUPAC name of 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one (CID 18959450) is 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one?
The canonical SMILES for 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one is Cc1cnc(=O)[nH]c1OCc1ccccc1.
What is the InChIKey of 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one?
The InChIKey is QRMRZELTMHWHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-7-13-12(15)14-11(9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15).
What are the key properties of 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one?
5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 18959450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).