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

C16H22FN5O — CID 15022768

IUPAC2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(OCC(C)Nc2nc(N)nc(C(C)F)n2)c1
InChIInChI=1S/C16H22FN5O/c1-9-5-10(2)7-13(6-9)23-8-11(3)19-16-21-14(12(4)17)20-15(18)22-16/h5-7,11-12H,8H2,1-4H3,(H3,18,19,20,21,22)
InChIKeyMBZQKDGRDBEOJL-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.98
Rot. Bonds6

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

2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 15022768) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID15022768
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(OCC(C)Nc2nc(N)nc(C(C)F)n2)c1
InChIInChI=1S/C16H22FN5O/c1-9-5-10(2)7-13(6-9)23-8-11(3)19-16-21-14(12(4)17)20-15(18)22-16/h5-7,11-12H,8H2,1-4H3,(H3,18,19,20,21,22)
InChIKeyMBZQKDGRDBEOJL-UHFFFAOYSA-N
XLogP2.98
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-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
Triaziflam
CID 10947588
6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 676259
6-[(1S)-1-[2-(3,5-dimethylphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25987660
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
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CID 15022768) is 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(OCC(C)Nc2nc(N)nc(C(C)F)n2)c1.
What is the InChIKey of 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MBZQKDGRDBEOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-9-5-10(2)7-13(6-9)23-8-11(3)19-16-21-14(12(4)17)20-15(18)22-16/h5-7,11-12H,8H2,1-4H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 319.38 g/mol, XLogP of 2.98, 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-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15022768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).