[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine

C15H19N3O — CID 82300078

IUPAC[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
SMILESCOc1ccc(-c2cc(C)nc(CN)n2)c(C)c1C
InChIInChI=1S/C15H19N3O/c1-9-7-13(18-15(8-16)17-9)12-5-6-14(19-4)11(3)10(12)2/h5-7H,8,16H2,1-4H3
InChIKeyXTCGBUHCZROOTC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.54
Rot. Bonds3

About [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine

[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine (PubChem CID 82300078) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
PubChem CID82300078
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
SMILESCOc1ccc(-c2cc(C)nc(CN)n2)c(C)c1C
InChIInChI=1S/C15H19N3O/c1-9-7-13(18-15(8-16)17-9)12-5-6-14(19-4)11(3)10(12)2/h5-7H,8,16H2,1-4H3
InChIKeyXTCGBUHCZROOTC-UHFFFAOYSA-N
XLogP2.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
2-[6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-yl]ethanamine
CID 82300077
[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
CID 95474508
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82481340
4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 95474541
4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894919
2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 82479464
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine
CID 82474066
6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid
CID 82306334
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine?
The IUPAC name of [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine (CID 82300078) is [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine is COc1ccc(-c2cc(C)nc(CN)n2)c(C)c1C.
What is the InChIKey of [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine?
The InChIKey is XTCGBUHCZROOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-7-13(18-15(8-16)17-9)12-5-6-14(19-4)11(3)10(12)2/h5-7H,8,16H2,1-4H3.
What are the key properties of [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine?
[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine is sourced from PubChem (CID 82300078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).