5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile

C13H14FN7 — CID 80798763

IUPAC5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
SMILESCNc1nc(Nc2ccc(F)c(C#N)c2)nc(N(C)C)n1
InChIInChI=1S/C13H14FN7/c1-16-11-18-12(20-13(19-11)21(2)3)17-9-4-5-10(14)8(6-9)7-15/h4-6H,1-3H3,(H2,16,17,18,19,20)
InChIKeySOMMMEBTKKGGLI-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.73
Rot. Bonds4

About 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile

5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile (PubChem CID 80798763) has the molecular formula C13H14FN7 and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
PubChem CID80798763
Molecular FormulaC13H14FN7
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC Name5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
SMILESCNc1nc(Nc2ccc(F)c(C#N)c2)nc(N(C)C)n1
InChIInChI=1S/C13H14FN7/c1-16-11-18-12(20-13(19-11)21(2)3)17-9-4-5-10(14)8(6-9)7-15/h4-6H,1-3H3,(H2,16,17,18,19,20)
InChIKeySOMMMEBTKKGGLI-UHFFFAOYSA-N
XLogP1.73
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile with MolForge

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Related Compounds

5-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80902716
5-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80827082
4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,2-dicarbonitrile
CID 107792353
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759355
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
CID 80826966
6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 79743592
2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 90346186
5-anilino-2-fluorobenzonitrile
CID 166901089
2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile
CID 125449171
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80756294

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile (CID 80798763) is 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile is CNc1nc(Nc2ccc(F)c(C#N)c2)nc(N(C)C)n1.
What is the InChIKey of 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile?
The InChIKey is SOMMMEBTKKGGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN7/c1-16-11-18-12(20-13(19-11)21(2)3)17-9-4-5-10(14)8(6-9)7-15/h4-6H,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile?
5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile has a molecular weight of 287.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile is sourced from PubChem (CID 80798763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).