[6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine

C15H19N3O — CID 116857602

IUPAC[6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine
SMILESCOc1c(C)c(C)cc(C)c1-c1cc(CN)ncn1
InChIInChI=1S/C15H19N3O/c1-9-5-10(2)14(15(19-4)11(9)3)13-6-12(7-16)17-8-18-13/h5-6,8H,7,16H2,1-4H3
InChIKeyKJEMENMKJFCTQH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.54
Rot. Bonds3

About [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine

[6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine (PubChem CID 116857602) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine
PubChem CID116857602
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine
SMILESCOc1c(C)c(C)cc(C)c1-c1cc(CN)ncn1
InChIInChI=1S/C15H19N3O/c1-9-5-10(2)14(15(19-4)11(9)3)13-6-12(7-16)17-8-18-13/h5-6,8H,7,16H2,1-4H3
InChIKeyKJEMENMKJFCTQH-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

[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
CID 83850253
3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 115112351
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 115111588
[4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867475
2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole
CID 116968145
[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
CID 28904662
[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine
CID 116943909
[6-(2-methyl-1,3-oxazol-5-yl)pyrimidin-4-yl]methanamine
CID 82404090
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116838627
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676

Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine (CID 116857602) is [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine is COc1c(C)c(C)cc(C)c1-c1cc(CN)ncn1.
What is the InChIKey of [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine?
The InChIKey is KJEMENMKJFCTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-10(2)14(15(19-4)11(9)3)13-6-12(7-16)17-8-18-13/h5-6,8H,7,16H2,1-4H3.
What are the key properties of [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine?
[6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-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 [6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 116857602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).