6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine

C10H6ClF4N5 — CID 107647067

IUPAC6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C10H6ClF4N5/c1-16-9-18-8(11)19-10(20-9)17-7-5(14)3(12)2-4(13)6(7)15/h2H,1H3,(H2,16,17,18,19,20)
InChIKeyIANKRPYFILPYRL-UHFFFAOYSA-N
MW307.64 g/mol
LogP2.87
Rot. Bonds3

About 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 107647067) has the molecular formula C10H6ClF4N5 and a molecular weight of 307.64 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID107647067
Molecular FormulaC10H6ClF4N5
Molecular Weight307.64 g/mol
Exact Mass307.02
IUPAC Name6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C10H6ClF4N5/c1-16-9-18-8(11)19-10(20-9)17-7-5(14)3(12)2-4(13)6(7)15/h2H,1H3,(H2,16,17,18,19,20)
InChIKeyIANKRPYFILPYRL-UHFFFAOYSA-N
XLogP2.87
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.64
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine
CID 115565288
6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081927
6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114261691
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
4-hydrazinyl-6-methoxy-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-amine
CID 107647301
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 81271667
5-fluoro-2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647119
6-(2-fluoropropan-2-yl)-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine
CID 90111788
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081294
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine (CID 107647067) is 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2c(F)c(F)cc(F)c2F)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IANKRPYFILPYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF4N5/c1-16-9-18-8(11)19-10(20-9)17-7-5(14)3(12)2-4(13)6(7)15/h2H,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.64 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107647067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).