6-piperazin-1-yl-1H-pyrimidine-2,4-dione

C8H12N4O2 — CID 54538630

IUPAC6-piperazin-1-yl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCNCC2)[nH]c(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c13-7-5-6(10-8(14)11-7)12-3-1-9-2-4-12/h5,9H,1-4H2,(H2,10,11,13,14)
InChIKeyZBNRFCSXDQERJN-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.53
Rot. Bonds1

About 6-piperazin-1-yl-1H-pyrimidine-2,4-dione

6-piperazin-1-yl-1H-pyrimidine-2,4-dione (PubChem CID 54538630) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-piperazin-1-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-piperazin-1-yl-1H-pyrimidine-2,4-dione
PubChem CID54538630
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name6-piperazin-1-yl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCNCC2)[nH]c(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c13-7-5-6(10-8(14)11-7)12-3-1-9-2-4-12/h5,9H,1-4H2,(H2,10,11,13,14)
InChIKeyZBNRFCSXDQERJN-UHFFFAOYSA-N
XLogP-1.53
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-piperazin-1-yl-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 6-piperazin-1-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-piperazin-1-yl-1H-pyrimidine-2,4-dione (CID 54538630) is 6-piperazin-1-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-piperazin-1-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-piperazin-1-yl-1H-pyrimidine-2,4-dione is O=c1cc(N2CCNCC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-piperazin-1-yl-1H-pyrimidine-2,4-dione?
The InChIKey is ZBNRFCSXDQERJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7-5-6(10-8(14)11-7)12-3-1-9-2-4-12/h5,9H,1-4H2,(H2,10,11,13,14).
What are the key properties of 6-piperazin-1-yl-1H-pyrimidine-2,4-dione?
6-piperazin-1-yl-1H-pyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54538630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).