2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

C12H9F2N7 — CID 80738135

IUPAC2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(F)c(F)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H9F2N7/c13-8-2-1-7(5-9(8)14)17-11-18-10(15)19-12(20-11)21-4-3-16-6-21/h1-6H,(H3,15,17,18,19,20)
InChIKeyGWAPVPFSFMAUMB-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.66
Rot. Bonds3

About 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80738135) has the molecular formula C12H9F2N7 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80738135
Molecular FormulaC12H9F2N7
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(F)c(F)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H9F2N7/c13-8-2-1-7(5-9(8)14)17-11-18-10(15)19-12(20-11)21-4-3-16-6-21/h1-6H,(H3,15,17,18,19,20)
InChIKeyGWAPVPFSFMAUMB-UHFFFAOYSA-N
XLogP1.66
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 107371050
2-N-(3,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80736972
4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62870705
2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773000
4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
CID 115503366
2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80737116
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 79743243
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
6-imidazol-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80847905
4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868476
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80738135) is 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccc(F)c(F)c2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GWAPVPFSFMAUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N7/c13-8-2-1-7(5-9(8)14)17-11-18-10(15)19-12(20-11)21-4-3-16-6-21/h1-6H,(H3,15,17,18,19,20).
What are the key properties of 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80738135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).