[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine

C12H14N4O — CID 82474357

IUPAC[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
SMILESCOc1cccc(-c2nc(C)nc(CN)n2)c1
InChIInChI=1S/C12H14N4O/c1-8-14-11(7-13)16-12(15-8)9-4-3-5-10(6-9)17-2/h3-6H,7,13H2,1-2H3
InChIKeySWJZPYGNYIPAGV-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.31
Rot. Bonds3

About [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine

[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine (PubChem CID 82474357) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
PubChem CID82474357
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
SMILESCOc1cccc(-c2nc(C)nc(CN)n2)c1
InChIInChI=1S/C12H14N4O/c1-8-14-11(7-13)16-12(15-8)9-4-3-5-10(6-9)17-2/h3-6H,7,13H2,1-2H3
InChIKeySWJZPYGNYIPAGV-UHFFFAOYSA-N
XLogP1.31
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
4-(chloromethyl)-2-(3-methoxyphenyl)-6-methylpyrimidine
CID 55114193
6-(methoxymethyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 62319493
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 20652055
2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine
CID 79219772
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
5-(3-methoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 15280859
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 62190374
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
The IUPAC name of [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine (CID 82474357) is [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine.
What is the SMILES notation for [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
The canonical SMILES for [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine is COc1cccc(-c2nc(C)nc(CN)n2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
The InChIKey is SWJZPYGNYIPAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-14-11(7-13)16-12(15-8)9-4-3-5-10(6-9)17-2/h3-6H,7,13H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine has a molecular weight of 230.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine is sourced from PubChem (CID 82474357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).