4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine

C14H16N2O — CID 116903911

IUPAC4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
SMILESCOc1c(C)cc(C)cc1-c1ccnc(C)n1
InChIInChI=1S/C14H16N2O/c1-9-7-10(2)14(17-4)12(8-9)13-5-6-15-11(3)16-13/h5-8H,1-4H3
InChIKeyBGLMGRADDHPIRT-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.08
Rot. Bonds2

About 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine

4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine (PubChem CID 116903911) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
PubChem CID116903911
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
SMILESCOc1c(C)cc(C)cc1-c1ccnc(C)n1
InChIInChI=1S/C14H16N2O/c1-9-7-10(2)14(17-4)12(8-9)13-5-6-15-11(3)16-13/h5-8H,1-4H3
InChIKeyBGLMGRADDHPIRT-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine?
The IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine (CID 116903911) is 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine?
The canonical SMILES for 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine is COc1c(C)cc(C)cc1-c1ccnc(C)n1.
What is the InChIKey of 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine?
The InChIKey is BGLMGRADDHPIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-7-10(2)14(17-4)12(8-9)13-5-6-15-11(3)16-13/h5-8H,1-4H3.
What are the key properties of 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine?
4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine has a molecular weight of 228.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine is sourced from PubChem (CID 116903911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).