2-methoxy-5-(4-methylphenyl)pyrimidine

C12H12N2O — CID 70805702

IUPAC2-methoxy-5-(4-methylphenyl)pyrimidine
SMILESCOc1ncc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C12H12N2O/c1-9-3-5-10(6-4-9)11-7-13-12(15-2)14-8-11/h3-8H,1-2H3
InChIKeyHRAKEZCURWMLHT-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.46
Rot. Bonds2

About 2-methoxy-5-(4-methylphenyl)pyrimidine

2-methoxy-5-(4-methylphenyl)pyrimidine (PubChem CID 70805702) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-(4-methylphenyl)pyrimidine
PubChem CID70805702
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-methoxy-5-(4-methylphenyl)pyrimidine
SMILESCOc1ncc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C12H12N2O/c1-9-3-5-10(6-4-9)11-7-13-12(15-2)14-8-11/h3-8H,1-2H3
InChIKeyHRAKEZCURWMLHT-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylphenyl)pyrimidine?
The IUPAC name of 2-methoxy-5-(4-methylphenyl)pyrimidine (CID 70805702) is 2-methoxy-5-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 2-methoxy-5-(4-methylphenyl)pyrimidine?
The canonical SMILES for 2-methoxy-5-(4-methylphenyl)pyrimidine is COc1ncc(-c2ccc(C)cc2)cn1.
What is the InChIKey of 2-methoxy-5-(4-methylphenyl)pyrimidine?
The InChIKey is HRAKEZCURWMLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-3-5-10(6-4-9)11-7-13-12(15-2)14-8-11/h3-8H,1-2H3.
What are the key properties of 2-methoxy-5-(4-methylphenyl)pyrimidine?
2-methoxy-5-(4-methylphenyl)pyrimidine has a molecular weight of 200.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 70805702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).