4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one

C9H14N4O2 — CID 63556062

IUPAC4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(N2CCNCC2)[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-6-7(14)11-9(12-8(6)15)13-4-2-10-3-5-13/h10H,2-5H2,1H3,(H2,11,12,14,15)
InChIKeyCBRXAIOGWJUBFL-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.81
Rot. Bonds1

About 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 63556062) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID63556062
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(N2CCNCC2)[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-6-7(14)11-9(12-8(6)15)13-4-2-10-3-5-13/h10H,2-5H2,1H3,(H2,11,12,14,15)
InChIKeyCBRXAIOGWJUBFL-UHFFFAOYSA-N
XLogP-0.81
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-5-methyl-2-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 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one (CID 63556062) is 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one is Cc1c(O)nc(N2CCNCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is CBRXAIOGWJUBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-7(14)11-9(12-8(6)15)13-4-2-10-3-5-13/h10H,2-5H2,1H3,(H2,11,12,14,15).
What are the key properties of 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63556062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).