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

C9H6Cl2FN5 — CID 80754951

IUPAC6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C9H6Cl2FN5/c10-4-2-1-3-5(6(4)12)14-9-16-7(11)15-8(13)17-9/h1-3H,(H3,13,14,15,16,17)
InChIKeyZQSCSPKOKKIKKJ-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.64
Rot. Bonds2

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

6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80754951) has the molecular formula C9H6Cl2FN5 and a molecular weight of 274.09 g/mol. Its IUPAC name is 6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80754951
Molecular FormulaC9H6Cl2FN5
Molecular Weight274.09 g/mol
Exact Mass273.00
IUPAC Name6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C9H6Cl2FN5/c10-4-2-1-3-5(6(4)12)14-9-16-7(11)15-8(13)17-9/h1-3H,(H3,13,14,15,16,17)
InChIKeyZQSCSPKOKKIKKJ-UHFFFAOYSA-N
XLogP2.64
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 80754951) is 6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(Nc2cccc(Cl)c2F)n1.
What is the InChIKey of 6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZQSCSPKOKKIKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2FN5/c10-4-2-1-3-5(6(4)12)14-9-16-7(11)15-8(13)17-9/h1-3H,(H3,13,14,15,16,17).
What are the key properties of 6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 274.09 g/mol, XLogP of 2.64, 2 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-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80754951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).