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

C11H10N2O — CID 22934933

IUPAC5-benzyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1Cc1ccccc1
InChIInChI=1S/C11H10N2O/c14-11-10(7-12-8-13-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,12,13,14)
InChIKeyMIXSIMGCLDYGMF-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.36
Rot. Bonds2

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

5-benzyl-1H-pyrimidin-6-one (PubChem CID 22934933) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-benzyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzyl-1H-pyrimidin-6-one
PubChem CID22934933
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name5-benzyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1Cc1ccccc1
InChIInChI=1S/C11H10N2O/c14-11-10(7-12-8-13-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,12,13,14)
InChIKeyMIXSIMGCLDYGMF-UHFFFAOYSA-N
XLogP1.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-pyrimidin-6-one?
The IUPAC name of 5-benzyl-1H-pyrimidin-6-one (CID 22934933) is 5-benzyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzyl-1H-pyrimidin-6-one is O=c1[nH]cncc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1H-pyrimidin-6-one?
The InChIKey is MIXSIMGCLDYGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11-10(7-12-8-13-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,12,13,14).
What are the key properties of 5-benzyl-1H-pyrimidin-6-one?
5-benzyl-1H-pyrimidin-6-one has a molecular weight of 186.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-pyrimidin-6-one is sourced from PubChem (CID 22934933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).