4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one

C12H20N4O — CID 136780983

IUPAC4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC1CCCN1)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H20N4O/c1-3-16(8-10-5-4-6-13-10)11-7-12(17)15-9(2)14-11/h7,10,13H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyZBUVYMCWEIHWCD-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.66
Rot. Bonds4

About 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136780983) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136780983
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC1CCCN1)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H20N4O/c1-3-16(8-10-5-4-6-13-10)11-7-12(17)15-9(2)14-11/h7,10,13H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyZBUVYMCWEIHWCD-UHFFFAOYSA-N
XLogP0.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-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 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136780983) is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one is CCN(CC1CCCN1)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZBUVYMCWEIHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16(8-10-5-4-6-13-10)11-7-12(17)15-9(2)14-11/h7,10,13H,3-6,8H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136780983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).