4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one

C13H15N3O — CID 135978433

IUPAC4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(-c2cccc(C)c2)n1
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-10(6-9)13-15-11(8-14-2)7-12(17)16-13/h3-7,14H,8H2,1-2H3,(H,15,16,17)
InChIKeyUUSABPMNWHBCFZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.46
Rot. Bonds3

About 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one

4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 135978433) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID135978433
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(-c2cccc(C)c2)n1
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-10(6-9)13-15-11(8-14-2)7-12(17)16-13/h3-7,14H,8H2,1-2H3,(H,15,16,17)
InChIKeyUUSABPMNWHBCFZ-UHFFFAOYSA-N
XLogP1.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978440
2-(3-fluoro-4-methylphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978384
2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978185
5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
CID 83893681
4-(chloromethyl)-2-(3-chlorophenyl)-1H-pyrimidin-6-one
CID 135978468
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217
2-(3-methylphenyl)-1H-benzo[f]benzimidazole-4,9-dione
CID 122368189
2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978262
4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
CID 106515333
2-[(4-bromophenyl)methyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978166
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 137028897

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one (CID 135978433) is 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(-c2cccc(C)c2)n1.
What is the InChIKey of 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is UUSABPMNWHBCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-3-5-10(6-9)13-15-11(8-14-2)7-12(17)16-13/h3-7,14H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one?
4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 229.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).