2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one

C11H11N3O2 — CID 82471766

IUPAC2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cc(-c2nccc(=O)[nH]2)ccc1N
InChIInChI=1S/C11H11N3O2/c1-16-9-6-7(2-3-8(9)12)11-13-5-4-10(15)14-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyAWGGPBOULARIJG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.03
Rot. Bonds2

About 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one

2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 82471766) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID82471766
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cc(-c2nccc(=O)[nH]2)ccc1N
InChIInChI=1S/C11H11N3O2/c1-16-9-6-7(2-3-8(9)12)11-13-5-4-10(15)14-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyAWGGPBOULARIJG-UHFFFAOYSA-N
XLogP1.03
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 43654596
2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one
CID 82469472
4-(5-tert-butyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 113452714
2-methoxy-4-(1,3-oxazol-2-yl)aniline
CID 82468773
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
4-(4-amino-3-methoxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 82474736
4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
CID 82483089
2-(4-amino-3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756504
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole
CID 175609219
2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 79980623
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline
CID 134456084

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one (CID 82471766) is 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one is COc1cc(-c2nccc(=O)[nH]2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is AWGGPBOULARIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-9-6-7(2-3-8(9)12)11-13-5-4-10(15)14-11/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one?
2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82471766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).