6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C13H16FN5O — CID 107171788

IUPAC6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2ccc(C)c(F)c2)nc(N(C)C)n1
InChIInChI=1S/C13H16FN5O/c1-8-5-6-9(7-10(8)14)20-13-17-11(15-2)16-12(18-13)19(3)4/h5-7H,1-4H3,(H,15,16,17,18)
InChIKeyWPLPRDJLKFHEDX-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.22
Rot. Bonds4

About 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 107171788) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID107171788
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2ccc(C)c(F)c2)nc(N(C)C)n1
InChIInChI=1S/C13H16FN5O/c1-8-5-6-9(7-10(8)14)20-13-17-11(15-2)16-12(18-13)19(3)4/h5-7H,1-4H3,(H,15,16,17,18)
InChIKeyWPLPRDJLKFHEDX-UHFFFAOYSA-N
XLogP2.22
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,2-N,4-N-trimethyl-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 80872059
6-(2,5-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80864385
4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80921724
6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80874464
6-(2,4-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863196
2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine
CID 80865696
6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80880335
6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80862387
2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866080
2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine
CID 107171716
4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine
CID 107171754

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 107171788) is 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(Oc2ccc(C)c(F)c2)nc(N(C)C)n1.
What is the InChIKey of 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WPLPRDJLKFHEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-8-5-6-9(7-10(8)14)20-13-17-11(15-2)16-12(18-13)19(3)4/h5-7H,1-4H3,(H,15,16,17,18).
What are the key properties of 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107171788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).