4-methyl-2-(4-methylphenoxy)pyrimidine

C12H12N2O — CID 155309034

IUPAC4-methyl-2-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2nccc(C)n2)cc1
InChIInChI=1S/C12H12N2O/c1-9-3-5-11(6-4-9)15-12-13-8-7-10(2)14-12/h3-8H,1-2H3
InChIKeyJWMDJDXXOBAKSW-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.89
Rot. Bonds2

About 4-methyl-2-(4-methylphenoxy)pyrimidine

4-methyl-2-(4-methylphenoxy)pyrimidine (PubChem CID 155309034) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenoxy)pyrimidine
PubChem CID155309034
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-methyl-2-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2nccc(C)n2)cc1
InChIInChI=1S/C12H12N2O/c1-9-3-5-11(6-4-9)15-12-13-8-7-10(2)14-12/h3-8H,1-2H3
InChIKeyJWMDJDXXOBAKSW-UHFFFAOYSA-N
XLogP2.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenoxy)pyrimidine?
The IUPAC name of 4-methyl-2-(4-methylphenoxy)pyrimidine (CID 155309034) is 4-methyl-2-(4-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-methyl-2-(4-methylphenoxy)pyrimidine?
The canonical SMILES for 4-methyl-2-(4-methylphenoxy)pyrimidine is Cc1ccc(Oc2nccc(C)n2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenoxy)pyrimidine?
The InChIKey is JWMDJDXXOBAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-3-5-11(6-4-9)15-12-13-8-7-10(2)14-12/h3-8H,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenoxy)pyrimidine?
4-methyl-2-(4-methylphenoxy)pyrimidine has a molecular weight of 200.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenoxy)pyrimidine is sourced from PubChem (CID 155309034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).