5-(4-methoxyphenyl)-4-methylpyrimidine

C12H12N2O — CID 54246644

IUPAC5-(4-methoxyphenyl)-4-methylpyrimidine
SMILESCOc1ccc(-c2cncnc2C)cc1
InChIInChI=1S/C12H12N2O/c1-9-12(7-13-8-14-9)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3
InChIKeyQTSOLMHKDAQWCD-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.46
Rot. Bonds2

About 5-(4-methoxyphenyl)-4-methylpyrimidine

5-(4-methoxyphenyl)-4-methylpyrimidine (PubChem CID 54246644) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methylpyrimidine
PubChem CID54246644
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-(4-methoxyphenyl)-4-methylpyrimidine
SMILESCOc1ccc(-c2cncnc2C)cc1
InChIInChI=1S/C12H12N2O/c1-9-12(7-13-8-14-9)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3
InChIKeyQTSOLMHKDAQWCD-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 5-(4-methoxyphenyl)-4-methylpyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-4-methylpyrimidine (CID 54246644) is 5-(4-methoxyphenyl)-4-methylpyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methylpyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methylpyrimidine is COc1ccc(-c2cncnc2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methylpyrimidine?
The InChIKey is QTSOLMHKDAQWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-12(7-13-8-14-9)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-methylpyrimidine?
5-(4-methoxyphenyl)-4-methylpyrimidine 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 5-(4-methoxyphenyl)-4-methylpyrimidine is sourced from PubChem (CID 54246644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).