4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C9H14N4O2 — CID 13151076

IUPAC4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9-10-7(14)6-8(15)11-9/h6H,2-5H2,1H3,(H2,10,11,14,15)
InChIKeyLCWKYQRVUNRVBW-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.77
Rot. Bonds1

About 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 13151076) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID13151076
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9-10-7(14)6-8(15)11-9/h6H,2-5H2,1H3,(H2,10,11,14,15)
InChIKeyLCWKYQRVUNRVBW-UHFFFAOYSA-N
XLogP-0.77
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 13151076) is 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2nc(O)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is LCWKYQRVUNRVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9-10-7(14)6-8(15)11-9/h6H,2-5H2,1H3,(H2,10,11,14,15).
What are the key properties of 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 13151076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).