4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C12H7ClF2N6 — CID 62868980

IUPAC4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESFc1cccc(F)c1Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H7ClF2N6/c13-10-18-11(17-9-7(14)2-1-3-8(9)15)20-12(19-10)21-5-4-16-6-21/h1-6H,(H,17,18,19,20)
InChIKeyBLGGEEYTVNRYCZ-UHFFFAOYSA-N
MW308.68 g/mol
LogP2.73
Rot. Bonds3

About 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62868980) has the molecular formula C12H7ClF2N6 and a molecular weight of 308.68 g/mol. Its IUPAC name is 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62868980
Molecular FormulaC12H7ClF2N6
Molecular Weight308.68 g/mol
Exact Mass308.04
IUPAC Name4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESFc1cccc(F)c1Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H7ClF2N6/c13-10-18-11(17-9-7(14)2-1-3-8(9)15)20-12(19-10)21-5-4-16-6-21/h1-6H,(H,17,18,19,20)
InChIKeyBLGGEEYTVNRYCZ-UHFFFAOYSA-N
XLogP2.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62870705
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868995
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868476
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868994
2-N-(2-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80737556
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62863362
2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80737116
2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80738135
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 62868980) is 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Fc1cccc(F)c1Nc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BLGGEEYTVNRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N6/c13-10-18-11(17-9-7(14)2-1-3-8(9)15)20-12(19-10)21-5-4-16-6-21/h1-6H,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 308.68 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).