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

C13H12FN7 — CID 80737116

IUPAC2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2cccc(F)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H12FN7/c1-15-11-18-12(17-10-4-2-3-9(14)7-10)20-13(19-11)21-6-5-16-8-21/h2-8H,1H3,(H2,15,17,18,19,20)
InChIKeyPAVATLFTPOZGGN-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.98
Rot. Bonds4

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

2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80737116) has the molecular formula C13H12FN7 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80737116
Molecular FormulaC13H12FN7
Molecular Weight285.29 g/mol
Exact Mass285.11
IUPAC Name2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2cccc(F)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H12FN7/c1-15-11-18-12(17-10-4-2-3-9(14)7-10)20-13(19-11)21-6-5-16-8-21/h2-8H,1H3,(H2,15,17,18,19,20)
InChIKeyPAVATLFTPOZGGN-UHFFFAOYSA-N
XLogP1.98
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80738135
4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62870705
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 107371050
4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868476
4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80872626
4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868980
2-N-(3-bromophenyl)-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80736723
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554
2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 35024765

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80737116) is 2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2cccc(F)c2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PAVATLFTPOZGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN7/c1-15-11-18-12(17-10-4-2-3-9(14)7-10)20-13(19-11)21-6-5-16-8-21/h2-8H,1H3,(H2,15,17,18,19,20).
What are the key properties of 2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 285.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80737116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).