6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H16FN5O — CID 39733237

IUPAC6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(-c2nc(N)nc(Nc3ccc(C)cc3)n2)c1F
InChIInChI=1S/C17H16FN5O/c1-10-6-8-11(9-7-10)20-17-22-15(21-16(19)23-17)12-4-3-5-13(24-2)14(12)18/h3-9H,1-2H3,(H3,19,20,21,22,23)
InChIKeyLELIVIXYNIREFE-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.32
Rot. Bonds4

About 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 39733237) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID39733237
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(-c2nc(N)nc(Nc3ccc(C)cc3)n2)c1F
InChIInChI=1S/C17H16FN5O/c1-10-6-8-11(9-7-10)20-17-22-15(21-16(19)23-17)12-4-3-5-13(24-2)14(12)18/h3-9H,1-2H3,(H3,19,20,21,22,23)
InChIKeyLELIVIXYNIREFE-UHFFFAOYSA-N
XLogP3.32
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-Amino-6-(2,4,6-trifluorophenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486414
2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 162396917
[1,3,5]Triazine-2,4-diamine, 6-chloro-N-(4-methoxyphenyl)-N'-(3-trifluoromethylphenyl)-
CID 3620709
2N-[3-amino(imino)methylphenyl]-6-[3-amino(imino)methylphenoxy]-3,5-difluoro-4-methyl-2-pyridinamine
CID 10668443
2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11646256
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 57399459
6-(4-methoxyphenyl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164613485
6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164628688
5-(Aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 22220623
N-(4-fluorobenzyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 15987740
[4-(3-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl](2-phenylethyl)amine
CID 15987741
N-[2,6-bis(3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 71570217

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 39733237) is 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is COc1cccc(-c2nc(N)nc(Nc3ccc(C)cc3)n2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LELIVIXYNIREFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-10-6-8-11(9-7-10)20-17-22-15(21-16(19)23-17)12-4-3-5-13(24-2)14(12)18/h3-9H,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 325.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 39733237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).