2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one

C11H18N4O — CID 136731503

IUPAC2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCN2C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-13-10(6-11(16)14-8)12-7-9-4-3-5-15(9)2/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyTUQRVPJBVZCPBA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds3

About 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one

2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136731503) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136731503
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCN2C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-13-10(6-11(16)14-8)12-7-9-4-3-5-15(9)2/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyTUQRVPJBVZCPBA-UHFFFAOYSA-N
XLogP0.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-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

3-[2-(Cyclopentylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 55236070
2-(Pyrrolidin-2-yl)pyrimidin-4-ol
CID 63362689
2,6-Dimethyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 63768678
2-(1-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667044
2-(Aminomethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84676229
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
2-(2-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687779
2-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819772
2,6-dimethyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819773
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]guanidine
CID 121829085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136731503) is 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1nc(NCC2CCCN2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is TUQRVPJBVZCPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-13-10(6-11(16)14-8)12-7-9-4-3-5-15(9)2/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136731503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).