5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C12H18N4O3 — CID 63255124

IUPAC5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(N)C1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-7(13)9-4-2-3-5-16(9)11(18)8-6-14-12(19)15-10(8)17/h6-7,9H,2-5,13H2,1H3,(H2,14,15,17,19)
InChIKeyNJFWDPYAEUFWCA-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.59
Rot. Bonds2

About 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 63255124) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID63255124
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(N)C1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-7(13)9-4-2-3-5-16(9)11(18)8-6-14-12(19)15-10(8)17/h6-7,9H,2-5,13H2,1H3,(H2,14,15,17,19)
InChIKeyNJFWDPYAEUFWCA-UHFFFAOYSA-N
XLogP-0.59
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 63255124) is 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CC(N)C1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is NJFWDPYAEUFWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(13)9-4-2-3-5-16(9)11(18)8-6-14-12(19)15-10(8)17/h6-7,9H,2-5,13H2,1H3,(H2,14,15,17,19).
What are the key properties of 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 63255124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).