2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine

C9H7F2N5 — CID 2782901

IUPAC2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C9H7F2N5/c10-5-1-2-7(6(11)3-5)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16)
InChIKeyPGZOEGOIYNTJCI-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.48
Rot. Bonds2

About 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine

2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2782901) has the molecular formula C9H7F2N5 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2782901
Molecular FormulaC9H7F2N5
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C9H7F2N5/c10-5-1-2-7(6(11)3-5)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16)
InChIKeyPGZOEGOIYNTJCI-UHFFFAOYSA-N
XLogP1.48
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 112746178
4-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80738160
1-(6-chloropyrimidin-4-yl)-3-N-(2,4-difluorophenyl)-1,2,4-triazole-3,5-diamine
CID 87613278
2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine
CID 56724461
2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786108
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884594
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112899771
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2735891
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 2730124

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine (CID 2782901) is 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1ncnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PGZOEGOIYNTJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N5/c10-5-1-2-7(6(11)3-5)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16).
What are the key properties of 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine?
2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 223.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2782901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).