1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine

C15H14FN5 — CID 134113555

IUPAC1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(c2ccccc2)N(c2ccc(F)cc2)C(N)=N1
InChIInChI=1S/C15H14FN5/c16-11-6-8-12(9-7-11)21-13(10-4-2-1-3-5-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)
InChIKeyDPSCXAIXGBBHFD-UHFFFAOYSA-N
MW283.31 g/mol
LogP1.97
Rot. Bonds2

About 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine

1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine (PubChem CID 134113555) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
PubChem CID134113555
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(c2ccccc2)N(c2ccc(F)cc2)C(N)=N1
InChIInChI=1S/C15H14FN5/c16-11-6-8-12(9-7-11)21-13(10-4-2-1-3-5-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)
InChIKeyDPSCXAIXGBBHFD-UHFFFAOYSA-N
XLogP1.97
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Di-o-tolylguanidine
CID 7333
Guanidine, N,N'-bis(methylphenyl)-
CID 41011
6,6-Dimethyl-1-(p-tolyl)-1,3,5-triazine-2,4-diamine
CID 309795
1(2H)-Quinolinecarboximidamide, 3,4-dihydro-2-methyl-N-phenyl-, monohydrochloride
CID 3052007
s-Triazine, 1,2-dihydro-1-(p-butylphenyl)-4,6-diamino-2,2-dimethyl-
CID 78387
6,6-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 427298
6,6-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2731323
4-(4-Fluoroanilino)-6-[(1-phenylethyl)amino]-1,3,5-triazine-2-thiol
CID 2892943
1-(4-Hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10017760
6,6-Dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine
CID 10065177
1-(4-Heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10358346
6,6-Dimethyl-1-[3-(phenylselanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 16073807

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine (CID 134113555) is 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine is NC1=NC(c2ccccc2)N(c2ccc(F)cc2)C(N)=N1.
What is the InChIKey of 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is DPSCXAIXGBBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c16-11-6-8-12(9-7-11)21-13(10-4-2-1-3-5-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20).
What are the key properties of 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 283.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 134113555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).