4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C11H12F2N6 — CID 80763289

IUPAC4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H12F2N6/c1-19(2)11-17-9(14)16-10(18-11)15-6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H3,14,15,16,17,18)
InChIKeyOPQJOZGUOZBTQJ-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.54
Rot. Bonds3

About 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80763289) has the molecular formula C11H12F2N6 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80763289
Molecular FormulaC11H12F2N6
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H12F2N6/c1-19(2)11-17-9(14)16-10(18-11)15-6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H3,14,15,16,17,18)
InChIKeyOPQJOZGUOZBTQJ-UHFFFAOYSA-N
XLogP1.54
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

5-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80827082
4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80851450
4-N-(2,5-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759815
2-N,2-N-dimethyl-4-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80768872
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol
CID 90254949
2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744
4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 107531890
5-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80902716
5-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80798763
4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80845995
N-(3,4-difluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976897
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80763289) is 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OPQJOZGUOZBTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N6/c1-19(2)11-17-9(14)16-10(18-11)15-6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 266.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80763289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).