4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one

C18H16N2O2 — CID 135498716

IUPAC4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2c(C)nc(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C18H16N2O2/c1-12-8-10-15(11-9-12)22-16-13(2)19-17(20-18(16)21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyKGCKRTMFQYJNRG-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.85
Rot. Bonds3

About 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one

4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135498716) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one
PubChem CID135498716
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2c(C)nc(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C18H16N2O2/c1-12-8-10-15(11-9-12)22-16-13(2)19-17(20-18(16)21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyKGCKRTMFQYJNRG-UHFFFAOYSA-N
XLogP3.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one (CID 135498716) is 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one is Cc1ccc(Oc2c(C)nc(-c3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is KGCKRTMFQYJNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-8-10-15(11-9-12)22-16-13(2)19-17(20-18(16)21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one?
4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 292.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methylphenoxy)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135498716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).