2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one

C8H13N5O — CID 71366859

IUPAC2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one
SMILESNc1ncc(N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C8H13N5O/c9-8-11-5-6(7(14)12-8)13-3-1-10-2-4-13/h5,10H,1-4H2,(H3,9,11,12,14)
InChIKeyQCKHTVONIIKNMD-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.24
Rot. Bonds1

About 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one

2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 71366859) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID71366859
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one
SMILESNc1ncc(N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C8H13N5O/c9-8-11-5-6(7(14)12-8)13-3-1-10-2-4-13/h5,10H,1-4H2,(H3,9,11,12,14)
InChIKeyQCKHTVONIIKNMD-UHFFFAOYSA-N
XLogP-1.24
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one 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 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one (CID 71366859) is 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one is Nc1ncc(N2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is QCKHTVONIIKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-8-11-5-6(7(14)12-8)13-3-1-10-2-4-13/h5,10H,1-4H2,(H3,9,11,12,14).
What are the key properties of 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one?
2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 195.23 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 71366859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).