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

C12H13FN4O — CID 82480164

IUPAC[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
SMILESCOc1ccc(F)cc1-c1nc(C)nc(CN)n1
InChIInChI=1S/C12H13FN4O/c1-7-15-11(6-14)17-12(16-7)9-5-8(13)3-4-10(9)18-2/h3-5H,6,14H2,1-2H3
InChIKeyZQNDLVIBNXUAPE-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.45
Rot. Bonds3

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

[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine (PubChem CID 82480164) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is [4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
PubChem CID82480164
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
SMILESCOc1ccc(F)cc1-c1nc(C)nc(CN)n1
InChIInChI=1S/C12H13FN4O/c1-7-15-11(6-14)17-12(16-7)9-5-8(13)3-4-10(9)18-2/h3-5H,6,14H2,1-2H3
InChIKeyZQNDLVIBNXUAPE-UHFFFAOYSA-N
XLogP1.45
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxy-2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82483544
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
[4-(4-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474358
[4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82473895
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474357
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 166492561
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
6-(5-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 61026023
[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 98020701
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
The IUPAC name of [4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine (CID 82480164) is [4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine.
What is the SMILES notation for [4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
The canonical SMILES for [4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine is COc1ccc(F)cc1-c1nc(C)nc(CN)n1.
What is the InChIKey of [4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
The InChIKey is ZQNDLVIBNXUAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7-15-11(6-14)17-12(16-7)9-5-8(13)3-4-10(9)18-2/h3-5H,6,14H2,1-2H3.
What are the key properties of [4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine has a molecular weight of 248.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine is sourced from PubChem (CID 82480164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).