3-methyl-5-(methylaminomethyl)pyrimidin-4-one

C7H11N3O — CID 83872657

IUPAC3-methyl-5-(methylaminomethyl)pyrimidin-4-one
SMILESCNCc1cncn(C)c1=O
InChIInChI=1S/C7H11N3O/c1-8-3-6-4-9-5-10(2)7(6)11/h4-5,8H,3H2,1-2H3
InChIKeyIFRIJMLTJHGPBH-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.50
Rot. Bonds2

About 3-methyl-5-(methylaminomethyl)pyrimidin-4-one

3-methyl-5-(methylaminomethyl)pyrimidin-4-one (PubChem CID 83872657) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methyl-5-(methylaminomethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(methylaminomethyl)pyrimidin-4-one
PubChem CID83872657
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3-methyl-5-(methylaminomethyl)pyrimidin-4-one
SMILESCNCc1cncn(C)c1=O
InChIInChI=1S/C7H11N3O/c1-8-3-6-4-9-5-10(2)7(6)11/h4-5,8H,3H2,1-2H3
InChIKeyIFRIJMLTJHGPBH-UHFFFAOYSA-N
XLogP-0.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(methylaminomethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Pyrimidinol, 5-methyl-
CID 205324
3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
5-Ethylpyrimidin-4-ol
CID 12423733
Pyrimidine, 1,6-dihydro-1,5-dimethyl-6-oxo-
CID 20772180
2-[(Dimethylamino)methyleneamino]-5-methylpyrimidin-4-one
CID 100976562
N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 13468415
1,4-Dihydropyrimidine-5-carboxamide
CID 13586545
N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide
CID 15451604
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
ethane;5-methyl-1H-pyrimidin-6-one;propan-2-one
CID 53859585
5-propan-2-yl-1H-pyrimidin-6-one
CID 68211213
3-Ethyl-5-methylpyrimidin-4-one
CID 89410488

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylaminomethyl)pyrimidin-4-one?
The IUPAC name of 3-methyl-5-(methylaminomethyl)pyrimidin-4-one (CID 83872657) is 3-methyl-5-(methylaminomethyl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-(methylaminomethyl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-(methylaminomethyl)pyrimidin-4-one is CNCc1cncn(C)c1=O.
What is the InChIKey of 3-methyl-5-(methylaminomethyl)pyrimidin-4-one?
The InChIKey is IFRIJMLTJHGPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-8-3-6-4-9-5-10(2)7(6)11/h4-5,8H,3H2,1-2H3.
What are the key properties of 3-methyl-5-(methylaminomethyl)pyrimidin-4-one?
3-methyl-5-(methylaminomethyl)pyrimidin-4-one has a molecular weight of 153.18 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylaminomethyl)pyrimidin-4-one is sourced from PubChem (CID 83872657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).