2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one

C12H20N4O — CID 84699556

IUPAC2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
SMILESCn1c(CCCN)nc(N2CCCC2)cc1=O
InChIInChI=1S/C12H20N4O/c1-15-10(5-4-6-13)14-11(9-12(15)17)16-7-2-3-8-16/h9H,2-8,13H2,1H3
InChIKeyJILDRAZTTDQPKO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.27
Rot. Bonds4

About 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one

2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one (PubChem CID 84699556) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
PubChem CID84699556
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
SMILESCn1c(CCCN)nc(N2CCCC2)cc1=O
InChIInChI=1S/C12H20N4O/c1-15-10(5-4-6-13)14-11(9-12(15)17)16-7-2-3-8-16/h9H,2-8,13H2,1H3
InChIKeyJILDRAZTTDQPKO-UHFFFAOYSA-N
XLogP0.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-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

2-ethyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974111
(6S)-6-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 130324021
3-Ethyl-6-(ethylamino)-2-methylpyrimidin-4-one
CID 12352076
2-Amino-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84665523
2-(1-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667044
2-(2-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667045
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-(Azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84697781
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
4-(butylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818517

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The IUPAC name of 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one (CID 84699556) is 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one is Cn1c(CCCN)nc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The InChIKey is JILDRAZTTDQPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-10(5-4-6-13)14-11(9-12(15)17)16-7-2-3-8-16/h9H,2-8,13H2,1H3.
What are the key properties of 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one has a molecular weight of 236.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 84699556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).