2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C17H24FN5O — CID 10947588

IUPAC2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)c1
InChIInChI=1S/C17H24FN5O/c1-10-6-11(2)8-13(7-10)24-9-12(3)20-16-22-14(17(4,5)18)21-15(19)23-16/h6-8,12H,9H2,1-5H3,(H3,19,20,21,22,23)
InChIKeyIUFUITYPUYMIHI-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.15
Rot. Bonds6

About 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 10947588) has the molecular formula C17H24FN5O and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID10947588
Molecular FormulaC17H24FN5O
Molecular Weight333.41 g/mol
Exact Mass333.20
IUPAC Name2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)c1
InChIInChI=1S/C17H24FN5O/c1-10-6-11(2)8-13(7-10)24-9-12(3)20-16-22-14(17(4,5)18)21-15(19)23-16/h6-8,12H,9H2,1-5H3,(H3,19,20,21,22,23)
InChIKeyIUFUITYPUYMIHI-UHFFFAOYSA-N
XLogP3.15
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
4-[(3-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155547693
4-[1-[2-Fluoro-5-(trifluoromethyl)phenoxy]ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 177372237
4-[1-[2-Fluoro-5-(trifluoromethyl)phenoxy]propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 177372238
6-[(1S)-1-[2-(3,5-dimethylphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25987660
2-N-[1-(3,5-dimethylphenoxy)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 10915243
2-Amino4-isopropyl-6-[2-(3-trifluoromethylphenoxy)-1-ethyl-ethylamino]-1,3,5-triazine
CID 11036020
2-N-[1-cyclopentyl-2-(3-methylphenoxy)ethyl]-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
CID 11338929
6-chloro-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 14574947
6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 14574962
2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 15022768
2-N-[1-(2,3-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 15022774

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 10947588) is 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)c1.
What is the InChIKey of 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IUFUITYPUYMIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O/c1-10-6-11(2)8-13(7-10)24-9-12(3)20-16-22-14(17(4,5)18)21-15(19)23-16/h6-8,12H,9H2,1-5H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 333.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10947588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).