4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one

C12H14N6O4 — CID 70560024

IUPAC4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(N2CCN(c3nc(O)cc(=O)[nH]3)CC2)[nH]1
InChIInChI=1S/C12H14N6O4/c19-7-5-8(20)14-11(13-7)17-1-2-18(4-3-17)12-15-9(21)6-10(22)16-12/h5-6H,1-4H2,(H2,13,14,19,20)(H2,15,16,21,22)
InChIKeyJXLNZTUMNVJZDV-UHFFFAOYSA-N
MW306.28 g/mol
LogP-1.41
Rot. Bonds2

About 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one

4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 70560024) has the molecular formula C12H14N6O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID70560024
Molecular FormulaC12H14N6O4
Molecular Weight306.28 g/mol
Exact Mass306.11
IUPAC Name4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(N2CCN(c3nc(O)cc(=O)[nH]3)CC2)[nH]1
InChIInChI=1S/C12H14N6O4/c19-7-5-8(20)14-11(13-7)17-1-2-18(4-3-17)12-15-9(21)6-10(22)16-12/h5-6H,1-4H2,(H2,13,14,19,20)(H2,15,16,21,22)
InChIKeyJXLNZTUMNVJZDV-UHFFFAOYSA-N
XLogP-1.41
TPSA138.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 70560024) is 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1cc(O)nc(N2CCN(c3nc(O)cc(=O)[nH]3)CC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JXLNZTUMNVJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O4/c19-7-5-8(20)14-11(13-7)17-1-2-18(4-3-17)12-15-9(21)6-10(22)16-12/h5-6H,1-4H2,(H2,13,14,19,20)(H2,15,16,21,22).
What are the key properties of 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 306.28 g/mol, XLogP of -1.41, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70560024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).