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

C10H8ClFIN5 — CID 114261691

IUPAC6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2cccc(F)c2I)n1
InChIInChI=1S/C10H8ClFIN5/c1-14-9-16-8(11)17-10(18-9)15-6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H2,14,15,16,17,18)
InChIKeyNLUHSHDJDXWZHG-UHFFFAOYSA-N
MW379.56 g/mol
LogP3.05
Rot. Bonds3

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

6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 114261691) has the molecular formula C10H8ClFIN5 and a molecular weight of 379.56 g/mol. Its IUPAC name is 6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID114261691
Molecular FormulaC10H8ClFIN5
Molecular Weight379.56 g/mol
Exact Mass378.95
IUPAC Name6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2cccc(F)c2I)n1
InChIInChI=1S/C10H8ClFIN5/c1-14-9-16-8(11)17-10(18-9)15-6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H2,14,15,16,17,18)
InChIKeyNLUHSHDJDXWZHG-UHFFFAOYSA-N
XLogP3.05
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.56
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-N-methyl-2-N-[2-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 80768863
6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine
CID 107647067
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081927
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 81271667
6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine
CID 115565288
3,5-dichloro-N-(3-fluoro-2-iodophenyl)-6-hydrazinylpyridin-2-amine
CID 114261764
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657
6-chloro-2-ethyl-N-(3-fluoro-2-iodophenyl)-5-methylpyrimidin-4-amine
CID 114260994
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 114261691) is 6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2cccc(F)c2I)n1.
What is the InChIKey of 6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NLUHSHDJDXWZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFIN5/c1-14-9-16-8(11)17-10(18-9)15-6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 379.56 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114261691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).