4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one

C12H12N2O2 — CID 136691870

IUPAC4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc[nH]c(=O)c1C
InChIInChI=1S/C12H12N2O2/c1-8-11(13-7-14-12(8)15)9-5-3-4-6-10(9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyHTQIWHVETGTRCR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.75
Rot. Bonds2

About 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one

4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136691870) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136691870
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc[nH]c(=O)c1C
InChIInChI=1S/C12H12N2O2/c1-8-11(13-7-14-12(8)15)9-5-3-4-6-10(9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyHTQIWHVETGTRCR-UHFFFAOYSA-N
XLogP1.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136955594
4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136691872
[4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82282609
2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82285156
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde
CID 83918138
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136770511
4-[2-(2-methoxyethoxy)phenyl]-5-propyl-1H-pyrimidin-6-one
CID 136770102

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one (CID 136691870) is 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one is COc1ccccc1-c1nc[nH]c(=O)c1C.
What is the InChIKey of 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is HTQIWHVETGTRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-11(13-7-14-12(8)15)9-5-3-4-6-10(9)16-2/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).