2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one

C12H12N2O2 — CID 61263830

IUPAC2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccccc1Cc1nccc(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-16-10-5-3-2-4-9(10)8-11-13-7-6-12(15)14-11/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyMFHUYGMKEDWAQM-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.37
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one

2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 61263830) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID61263830
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccccc1Cc1nccc(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-16-10-5-3-2-4-9(10)8-11-13-7-6-12(15)14-11/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyMFHUYGMKEDWAQM-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135494244
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile
CID 96602601
2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
CID 43654591
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 63109514
2-[(2-methoxyphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952206
4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
CID 60979217
2-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-6-ium-4-one
CID 135575576
CID 172758023
CID 172758023
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112
3-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 146380303
2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 43654596

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 61263830) is 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1ccccc1Cc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is MFHUYGMKEDWAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-10-5-3-2-4-9(10)8-11-13-7-6-12(15)14-11/h2-7H,8H2,1H3,(H,13,14,15).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 61263830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).