2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine

C14H17N3O — CID 82293771

IUPAC2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(C)cc1-c1nc(C)cc(N)n1
InChIInChI=1S/C14H17N3O/c1-8-5-11(12(18-4)6-9(8)2)14-16-10(3)7-13(15)17-14/h5-7H,1-4H3,(H2,15,16,17)
InChIKeyXUOPQNHIRIMRPX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.66
Rot. Bonds2

About 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine

2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine (PubChem CID 82293771) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine
PubChem CID82293771
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(C)cc1-c1nc(C)cc(N)n1
InChIInChI=1S/C14H17N3O/c1-8-5-11(12(18-4)6-9(8)2)14-16-10(3)7-13(15)17-14/h5-7H,1-4H3,(H2,15,16,17)
InChIKeyXUOPQNHIRIMRPX-UHFFFAOYSA-N
XLogP2.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 82293776
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 82478513
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 95481914
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
2-(5-fluoro-2-methylphenyl)-6-methylpyrimidin-4-amine
CID 55208923
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 78909887
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503
[2-(2-methoxy-4-methylphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 106793108
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 116894689
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894751
2-(2-methoxy-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 106793002

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine (CID 82293771) is 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine is COc1cc(C)c(C)cc1-c1nc(C)cc(N)n1.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is XUOPQNHIRIMRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-5-11(12(18-4)6-9(8)2)14-16-10(3)7-13(15)17-14/h5-7H,1-4H3,(H2,15,16,17).
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine?
2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 82293771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).