[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine

C13H15N3O — CID 83850253

IUPAC[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)ncn2)cc1C
InChIInChI=1S/C13H15N3O/c1-9-5-10(3-4-13(9)17-2)12-6-11(7-14)15-8-16-12/h3-6,8H,7,14H2,1-2H3
InChIKeyWRLUWAFFGKMGSL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.92
Rot. Bonds3

About [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine

[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine (PubChem CID 83850253) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
PubChem CID83850253
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)ncn2)cc1C
InChIInChI=1S/C13H15N3O/c1-9-5-10(3-4-13(9)17-2)12-6-11(7-14)15-8-16-12/h3-6,8H,7,14H2,1-2H3
InChIKeyWRLUWAFFGKMGSL-UHFFFAOYSA-N
XLogP1.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82453407
[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
CID 28904662
[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
CID 82474052
6-(4-methoxy-3-methylphenyl)-2-methylpyridin-3-amine
CID 82467710
[6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine
CID 116857558
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
[6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine
CID 116857602
2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82289585
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
CID 116857617

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine (CID 83850253) is [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine is COc1ccc(-c2cc(CN)ncn2)cc1C.
What is the InChIKey of [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine?
The InChIKey is WRLUWAFFGKMGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-5-10(3-4-13(9)17-2)12-6-11(7-14)15-8-16-12/h3-6,8H,7,14H2,1-2H3.
What are the key properties of [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine?
[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 83850253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).