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

C10H7Cl3FN5 — CID 83081927

IUPAC6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C10H7Cl3FN5/c1-15-9-17-8(13)18-10(19-9)16-7-5(11)2-4(14)3-6(7)12/h2-3H,1H3,(H2,15,16,17,18,19)
InChIKeyDBYGUUVNSOFZKK-UHFFFAOYSA-N
MW322.56 g/mol
LogP3.76
Rot. Bonds3

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

6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 83081927) has the molecular formula C10H7Cl3FN5 and a molecular weight of 322.56 g/mol. Its IUPAC name is 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID83081927
Molecular FormulaC10H7Cl3FN5
Molecular Weight322.56 g/mol
Exact Mass320.98
IUPAC Name6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C10H7Cl3FN5/c1-15-9-17-8(13)18-10(19-9)16-7-5(11)2-4(14)3-6(7)12/h2-3H,1H3,(H2,15,16,17,18,19)
InChIKeyDBYGUUVNSOFZKK-UHFFFAOYSA-N
XLogP3.76
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.56
LogP ≤ 53.76
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-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 83081927) is 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2c(Cl)cc(F)cc2Cl)n1.
What is the InChIKey of 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DBYGUUVNSOFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3FN5/c1-15-9-17-8(13)18-10(19-9)16-7-5(11)2-4(14)3-6(7)12/h2-3H,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 322.56 g/mol, XLogP of 3.76, 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-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 83081927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).