1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C12H15F2N5 — CID 66765511

IUPAC1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N5/c1-12(2)18-10(15)17-11(16)19(12)6-7-3-8(13)5-9(14)4-7/h3-5H,6H2,1-2H3,(H4,15,16,17,18)
InChIKeyFFHVQEUQTKDJJH-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.15
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 66765511) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID66765511
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N5/c1-12(2)18-10(15)17-11(16)19(12)6-7-3-8(13)5-9(14)4-7/h3-5H,6H2,1-2H3,(H4,15,16,17,18)
InChIKeyFFHVQEUQTKDJJH-UHFFFAOYSA-N
XLogP1.15
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bethanidine
CID 2368
4-(Benzylamino)-6-(dimethylamino)-1,3,5-triazine-2-thiol
CID 976872
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
CID 417287
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625
6,6-Dimethyl-1-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 24196215
[3-(phenylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
CID 944503
6,6-Dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 5351906
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
CID 16682615
(5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 23640808
(5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine
CID 23640809
1-Benzyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 427463
6,6-Dimethyl-1-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 427472

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 66765511) is 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FFHVQEUQTKDJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-12(2)18-10(15)17-11(16)19(12)6-7-3-8(13)5-9(14)4-7/h3-5H,6H2,1-2H3,(H4,15,16,17,18).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66765511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).