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

C12H20N4O — CID 136731509

IUPAC2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCCN2C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-14-11(7-12(17)15-10)13-8-9-5-4-6-16(9)2/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyGUBJSQLQLNUWRP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.84
Rot. Bonds4

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

2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136731509) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136731509
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCCN2C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-14-11(7-12(17)15-10)13-8-9-5-4-6-16(9)2/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyGUBJSQLQLNUWRP-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-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

2-(Pyrrolidin-2-yl)pyrimidin-4-ol
CID 63362689
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555529
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136731509) is 2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2CCCN2C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GUBJSQLQLNUWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-14-11(7-12(17)15-10)13-8-9-5-4-6-16(9)2/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136731509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).