2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one

C11H11N3O — CID 82469493

IUPAC2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one
SMILESCNc1cccc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C11H11N3O/c1-12-9-4-2-3-8(7-9)11-13-6-5-10(15)14-11/h2-7,12H,1H3,(H,13,14,15)
InChIKeySXWPGHYGQKAJRY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.48
Rot. Bonds2

About 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one

2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one (PubChem CID 82469493) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one
PubChem CID82469493
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one
SMILESCNc1cccc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C11H11N3O/c1-12-9-4-2-3-8(7-9)11-13-6-5-10(15)14-11/h2-7,12H,1H3,(H,13,14,15)
InChIKeySXWPGHYGQKAJRY-UHFFFAOYSA-N
XLogP1.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 43654623
2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 79980623
2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one
CID 82469472
2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 43654596
2-quinolin-3-yl-1H-pyrimidin-6-one
CID 112754148
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 82471766
3-(chloromethyl)-6-[3-(methylamino)phenyl]-1H-pyridin-2-one
CID 21404529
N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline
CID 141307276
N-methyl-3-(1,3,5-triazin-2-yl)aniline
CID 82468537
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
3-methyl-6-[3-(methylamino)phenyl]-1H-quinolin-2-one
CID 116997621

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one (CID 82469493) is 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one is CNc1cccc(-c2nccc(=O)[nH]2)c1.
What is the InChIKey of 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one?
The InChIKey is SXWPGHYGQKAJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-12-9-4-2-3-8(7-9)11-13-6-5-10(15)14-11/h2-7,12H,1H3,(H,13,14,15).
What are the key properties of 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one?
2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one has a molecular weight of 201.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 82469493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).