5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one

C11H10N2O3 — CID 135740432

IUPAC5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(CO)c1O
InChIInChI=1S/C11H10N2O3/c14-6-8-9(15)11(16)13-10(12-8)7-4-2-1-3-5-7/h1-5,14-15H,6H2,(H,12,13,16)
InChIKeyMOUPXCCUNUHAIY-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.63
Rot. Bonds2

About 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one

5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135740432) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID135740432
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(CO)c1O
InChIInChI=1S/C11H10N2O3/c14-6-8-9(15)11(16)13-10(12-8)7-4-2-1-3-5-7/h1-5,14-15H,6H2,(H,12,13,16)
InChIKeyMOUPXCCUNUHAIY-UHFFFAOYSA-N
XLogP0.63
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one (CID 135740432) is 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccc2)nc(CO)c1O.
What is the InChIKey of 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is MOUPXCCUNUHAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-6-8-9(15)11(16)13-10(12-8)7-4-2-1-3-5-7/h1-5,14-15H,6H2,(H,12,13,16).
What are the key properties of 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one?
5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 218.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135740432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).