4,5-dimethyl-6-(2-methylphenoxy)pyrimidine

C13H14N2O — CID 165051493

IUPAC4,5-dimethyl-6-(2-methylphenoxy)pyrimidine
SMILESCc1ccccc1Oc1ncnc(C)c1C
InChIInChI=1S/C13H14N2O/c1-9-6-4-5-7-12(9)16-13-10(2)11(3)14-8-15-13/h4-8H,1-3H3
InChIKeyVIUDBCUWMPGRNZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.19
Rot. Bonds2

About 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine

4,5-dimethyl-6-(2-methylphenoxy)pyrimidine (PubChem CID 165051493) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-(2-methylphenoxy)pyrimidine
PubChem CID165051493
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4,5-dimethyl-6-(2-methylphenoxy)pyrimidine
SMILESCc1ccccc1Oc1ncnc(C)c1C
InChIInChI=1S/C13H14N2O/c1-9-6-4-5-7-12(9)16-13-10(2)11(3)14-8-15-13/h4-8H,1-3H3
InChIKeyVIUDBCUWMPGRNZ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-(2-methylphenoxy)-6-propan-2-yloxypyrimidine
CID 58414474
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
3-(2-methylphenoxy)pyrazin-2-amine
CID 102987840
6-(2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80864729
3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761
5,6-dimethyl-3-(2-methylphenoxy)pyridazine-4-carbothioamide
CID 61098664
4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
CID 63734721
[6-(2-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80916535
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
ethane;1-methyl-2-phenoxybenzene
CID 90950955
[2-(6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 55229285

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine?
The IUPAC name of 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine (CID 165051493) is 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine?
The canonical SMILES for 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine is Cc1ccccc1Oc1ncnc(C)c1C.
What is the InChIKey of 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine?
The InChIKey is VIUDBCUWMPGRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-6-4-5-7-12(9)16-13-10(2)11(3)14-8-15-13/h4-8H,1-3H3.
What are the key properties of 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine?
4,5-dimethyl-6-(2-methylphenoxy)pyrimidine has a molecular weight of 214.27 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(2-methylphenoxy)pyrimidine is sourced from PubChem (CID 165051493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).