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

C11H18N4O — CID 84687779

IUPAC2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
SMILESCn1c(CCN)nc(N2CCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-14-9(4-5-12)13-10(8-11(14)16)15-6-2-3-7-15/h8H,2-7,12H2,1H3
InChIKeyUEFFCKKVTJOGIC-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.12
Rot. Bonds3

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

2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one (PubChem CID 84687779) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
PubChem CID84687779
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
SMILESCn1c(CCN)nc(N2CCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-14-9(4-5-12)13-10(8-11(14)16)15-6-2-3-7-15/h8H,2-7,12H2,1H3
InChIKeyUEFFCKKVTJOGIC-UHFFFAOYSA-N
XLogP-0.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956171
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
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-(Azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84697781
2-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
6-Chloro-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 113604486
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one (CID 84687779) is 2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one is Cn1c(CCN)nc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The InChIKey is UEFFCKKVTJOGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-9(4-5-12)13-10(8-11(14)16)15-6-2-3-7-15/h8H,2-7,12H2,1H3.
What are the key properties of 2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 84687779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).