2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine

C13H14N2O — CID 90142068

IUPAC2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine
SMILESCOc1c(C)cccc1-c1nccc(C)n1
InChIInChI=1S/C13H14N2O/c1-9-5-4-6-11(12(9)16-3)13-14-8-7-10(2)15-13/h4-8H,1-3H3
InChIKeyABBZJNLZZBMPQD-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.77
Rot. Bonds2

About 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine

2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine (PubChem CID 90142068) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine
PubChem CID90142068
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine
SMILESCOc1c(C)cccc1-c1nccc(C)n1
InChIInChI=1S/C13H14N2O/c1-9-5-4-6-11(12(9)16-3)13-14-8-7-10(2)15-13/h4-8H,1-3H3
InChIKeyABBZJNLZZBMPQD-UHFFFAOYSA-N
XLogP2.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine?
The IUPAC name of 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine (CID 90142068) is 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine.
What is the SMILES notation for 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine?
The canonical SMILES for 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine is COc1c(C)cccc1-c1nccc(C)n1.
What is the InChIKey of 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine?
The InChIKey is ABBZJNLZZBMPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-5-4-6-11(12(9)16-3)13-14-8-7-10(2)15-13/h4-8H,1-3H3.
What are the key properties of 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine?
2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine has a molecular weight of 214.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine is sourced from PubChem (CID 90142068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).