3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione

C12H18N4O3 — CID 106934140

IUPAC3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C12H18N4O3/c13-4-8-16-10(17)3-7-15(12(16)19)9-11(18)14-5-1-2-6-14/h3,7H,1-2,4-6,8-9,13H2
InChIKeyXEORIWRUTMRIEX-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.41
Rot. Bonds4

About 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione

3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 106934140) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID106934140
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C12H18N4O3/c13-4-8-16-10(17)3-7-15(12(16)19)9-11(18)14-5-1-2-6-14/h3,7H,1-2,4-6,8-9,13H2
InChIKeyXEORIWRUTMRIEX-UHFFFAOYSA-N
XLogP-1.41
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione 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

1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 50755479
3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106934083
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
CID 106934085
3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
CID 106934163
3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione
CID 106934090
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119491896
1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119468653
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
(3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 129467529
1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 62917794

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione (CID 106934140) is 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione is NCCn1c(=O)ccn(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is XEORIWRUTMRIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-4-8-16-10(17)3-7-15(12(16)19)9-11(18)14-5-1-2-6-14/h3,7H,1-2,4-6,8-9,13H2.
What are the key properties of 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of -1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106934140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).