2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one

C10H17N3O — CID 83879431

IUPAC2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one
SMILESCNCc1cnc(C)n(C(C)C)c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)13-8(3)12-6-9(5-11-4)10(13)14/h6-7,11H,5H2,1-4H3
InChIKeyMSEDOAHDLQBKGK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.85
Rot. Bonds3

About 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one

2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one (PubChem CID 83879431) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one
PubChem CID83879431
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one
SMILESCNCc1cnc(C)n(C(C)C)c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)13-8(3)12-6-9(5-11-4)10(13)14/h6-7,11H,5H2,1-4H3
InChIKeyMSEDOAHDLQBKGK-UHFFFAOYSA-N
XLogP0.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-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

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
5-[(propan-2-ylamino)methyl]-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206307
5-[(tert-butylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206336
2,3-Dimethyl-5-[[methyl(propyl)amino]methyl]pyrimidin-4-one
CID 59881373
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
1,6-Dihydro-1-methyl-2-[(1-methylethyl)amino]-5-pyrimidinecarboxamide
CID 135727044
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
5-(Aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)
CID 145471989
5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 148774555
2,2-dimethyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]propanamide
CID 157500872

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one (CID 83879431) is 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one is CNCc1cnc(C)n(C(C)C)c1=O.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one?
The InChIKey is MSEDOAHDLQBKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-8(3)12-6-9(5-11-4)10(13)14/h6-7,11H,5H2,1-4H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one?
2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 83879431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).