4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

C9H14N4O2 — CID 63556239

IUPAC4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CN2CCNCC2)[nH]1
InChIInChI=1S/C9H14N4O2/c14-8-5-9(15)12-7(11-8)6-13-3-1-10-2-4-13/h5,10H,1-4,6H2,(H2,11,12,14,15)
InChIKeyWSYDXSAKBBZVMG-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.12
Rot. Bonds2

About 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 63556239) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID63556239
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CN2CCNCC2)[nH]1
InChIInChI=1S/C9H14N4O2/c14-8-5-9(15)12-7(11-8)6-13-3-1-10-2-4-13/h5,10H,1-4,6H2,(H2,11,12,14,15)
InChIKeyWSYDXSAKBBZVMG-UHFFFAOYSA-N
XLogP-1.12
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 63556239) is 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(CN2CCNCC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is WSYDXSAKBBZVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-8-5-9(15)12-7(11-8)6-13-3-1-10-2-4-13/h5,10H,1-4,6H2,(H2,11,12,14,15).
What are the key properties of 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63556239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).