4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

C9H12N4O3 — CID 82509651

IUPAC4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1nc(O)cc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C9H12N4O3/c14-6-5-7(15)12-8(11-6)9(16)13-3-1-10-2-4-13/h5,10H,1-4H2,(H2,11,12,14,15)
InChIKeyPWZWGWKPMCJUEM-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.48
Rot. Bonds1

About 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 82509651) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID82509651
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1nc(O)cc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C9H12N4O3/c14-6-5-7(15)12-8(11-6)9(16)13-3-1-10-2-4-13/h5,10H,1-4H2,(H2,11,12,14,15)
InChIKeyPWZWGWKPMCJUEM-UHFFFAOYSA-N
XLogP-1.48
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 82509651) is 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is O=C(c1nc(O)cc(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is PWZWGWKPMCJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c14-6-5-7(15)12-8(11-6)9(16)13-3-1-10-2-4-13/h5,10H,1-4H2,(H2,11,12,14,15).
What are the key properties of 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 224.22 g/mol, XLogP of -1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82509651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).