2-benzyl-5-hydroxy-1H-pyrimidin-6-one

C11H10N2O2 — CID 44541208

IUPAC2-benzyl-5-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccccc2)ncc1O
InChIInChI=1S/C11H10N2O2/c14-9-7-12-10(13-11(9)15)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H,12,13,15)
InChIKeyBPCQUEQQTIZGFF-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.07
Rot. Bonds2

About 2-benzyl-5-hydroxy-1H-pyrimidin-6-one

2-benzyl-5-hydroxy-1H-pyrimidin-6-one (PubChem CID 44541208) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-benzyl-5-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-benzyl-5-hydroxy-1H-pyrimidin-6-one
PubChem CID44541208
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-benzyl-5-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccccc2)ncc1O
InChIInChI=1S/C11H10N2O2/c14-9-7-12-10(13-11(9)15)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H,12,13,15)
InChIKeyBPCQUEQQTIZGFF-UHFFFAOYSA-N
XLogP1.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-benzyl-5-hydroxy-1H-pyrimidin-6-one (CID 44541208) is 2-benzyl-5-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-benzyl-5-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-benzyl-5-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(Cc2ccccc2)ncc1O.
What is the InChIKey of 2-benzyl-5-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BPCQUEQQTIZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-9-7-12-10(13-11(9)15)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H,12,13,15).
What are the key properties of 2-benzyl-5-hydroxy-1H-pyrimidin-6-one?
2-benzyl-5-hydroxy-1H-pyrimidin-6-one has a molecular weight of 202.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 44541208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).