2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C11H12BrF2N7 — CID 107608454

IUPAC2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2cc(F)c(Br)cc2F)n1
InChIInChI=1S/C11H12BrF2N7/c1-21(2)11-18-9(17-10(19-11)20-15)16-8-4-6(13)5(12)3-7(8)14/h3-4H,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyLIKPDFJWHGEGRH-UHFFFAOYSA-N
MW360.17 g/mol
LogP2.01
Rot. Bonds4

About 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 107608454) has the molecular formula C11H12BrF2N7 and a molecular weight of 360.17 g/mol. Its IUPAC name is 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID107608454
Molecular FormulaC11H12BrF2N7
Molecular Weight360.17 g/mol
Exact Mass359.03
IUPAC Name2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2cc(F)c(Br)cc2F)n1
InChIInChI=1S/C11H12BrF2N7/c1-21(2)11-18-9(17-10(19-11)20-15)16-8-4-6(13)5(12)3-7(8)14/h3-4H,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyLIKPDFJWHGEGRH-UHFFFAOYSA-N
XLogP2.01
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102854503
2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80916377
2-N-(2,5-dibromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80897605
2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80927563
2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107795423
2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 81287998
4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80921724
2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80928492
2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107371206
5-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80902716
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759355
4-N-(2,5-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759815

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 107608454) is 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(NN)nc(Nc2cc(F)c(Br)cc2F)n1.
What is the InChIKey of 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LIKPDFJWHGEGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N7/c1-21(2)11-18-9(17-10(19-11)20-15)16-8-4-6(13)5(12)3-7(8)14/h3-4H,15H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 360.17 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107608454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).