5-(3-methylphenoxy)-1H-pyrimidin-6-one

C11H10N2O2 — CID 12661855

IUPAC5-(3-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cccc(Oc2cnc[nH]c2=O)c1
InChIInChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-7-13-11(10)14/h2-7H,1H3,(H,12,13,14)
InChIKeyDZHNJFOCZRPKQB-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.87
Rot. Bonds2

About 5-(3-methylphenoxy)-1H-pyrimidin-6-one

5-(3-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 12661855) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(3-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID12661855
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-(3-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cccc(Oc2cnc[nH]c2=O)c1
InChIInChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-7-13-11(10)14/h2-7H,1H3,(H,12,13,14)
InChIKeyDZHNJFOCZRPKQB-UHFFFAOYSA-N
XLogP1.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-methylphenoxy)-1H-pyrimidin-6-one (CID 12661855) is 5-(3-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-methylphenoxy)-1H-pyrimidin-6-one is Cc1cccc(Oc2cnc[nH]c2=O)c1.
What is the InChIKey of 5-(3-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is DZHNJFOCZRPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-7-13-11(10)14/h2-7H,1H3,(H,12,13,14).
What are the key properties of 5-(3-methylphenoxy)-1H-pyrimidin-6-one?
5-(3-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 202.21 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 12661855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).