3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione

C12H19N3O3 — CID 106934183

IUPAC3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(CCC2CCCO2)c1=O
InChIInChI=1S/C12H19N3O3/c13-5-8-15-11(16)4-7-14(12(15)17)6-3-10-2-1-9-18-10/h4,7,10H,1-3,5-6,8-9,13H2
InChIKeyXYRXELZIROMRAT-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.46
Rot. Bonds5

About 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione

3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 106934183) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
PubChem CID106934183
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(CCC2CCCO2)c1=O
InChIInChI=1S/C12H19N3O3/c13-5-8-15-11(16)4-7-14(12(15)17)6-3-10-2-1-9-18-10/h4,7,10H,1-3,5-6,8-9,13H2
InChIKeyXYRXELZIROMRAT-UHFFFAOYSA-N
XLogP-0.46
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]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-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
CID 63810079
1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
CID 116625132
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748
2-[1-[2-(oxolan-2-yl)ethyl]indol-7-yl]ethanamine
CID 102917115
3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 107073173
6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582299
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
CID 65162434
1-[2-(oxan-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106003570
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
4-nitro-1-[2-(oxolan-2-yl)ethyl]indole
CID 116623449
5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 80648817

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione (CID 106934183) is 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione is NCCn1c(=O)ccn(CCC2CCCO2)c1=O.
What is the InChIKey of 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is XYRXELZIROMRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-5-8-15-11(16)4-7-14(12(15)17)6-3-10-2-1-9-18-10/h4,7,10H,1-3,5-6,8-9,13H2.
What are the key properties of 3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -0.46, 5 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-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106934183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).