4-hydroxy-5-methoxy-1H-pyrimidin-6-one

C5H6N2O3 — CID 14960368

IUPAC4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(O)nc[nH]c1=O
InChIInChI=1S/C5H6N2O3/c1-10-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChIKeyJSEPQQUEVRZWST-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.52
Rot. Bonds1

About 4-hydroxy-5-methoxy-1H-pyrimidin-6-one

4-hydroxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 14960368) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID14960368
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(O)nc[nH]c1=O
InChIInChI=1S/C5H6N2O3/c1-10-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChIKeyJSEPQQUEVRZWST-UHFFFAOYSA-N
XLogP-0.52
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methoxy-1H-pyrimidin-6-one (CID 14960368) is 4-hydroxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methoxy-1H-pyrimidin-6-one is COc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JSEPQQUEVRZWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-10-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
4-hydroxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 142.11 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 14960368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).