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

C12H14F2N6 — CID 80759355

IUPAC4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2cc(F)ccc2F)nc(N(C)C)n1
InChIInChI=1S/C12H14F2N6/c1-15-10-17-11(19-12(18-10)20(2)3)16-9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H2,15,16,17,18,19)
InChIKeyFMUWQNQNSFKHKW-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.00
Rot. Bonds4

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

4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80759355) has the molecular formula C12H14F2N6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80759355
Molecular FormulaC12H14F2N6
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2cc(F)ccc2F)nc(N(C)C)n1
InChIInChI=1S/C12H14F2N6/c1-15-10-17-11(19-12(18-10)20(2)3)16-9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H2,15,16,17,18,19)
InChIKeyFMUWQNQNSFKHKW-UHFFFAOYSA-N
XLogP2.00
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-N-(2,5-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759815
4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80756294
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-(methylamino)-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80798763
2-N,2-N,6-N-trimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4,6-triamine
CID 80748181
4-N-(2-chloro-4-iodophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107604708
4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80784400
6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 79743592
4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80804494
4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107794861
2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107608454
2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80916377

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80759355) is 4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2cc(F)ccc2F)nc(N(C)C)n1.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FMUWQNQNSFKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N6/c1-15-10-17-11(19-12(18-10)20(2)3)16-9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 280.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80759355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).