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

C15H11ClFN5 — CID 23033168

IUPAC6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESFc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H11ClFN5/c16-13-20-14(18-11-4-2-1-3-5-11)22-15(21-13)19-12-8-6-10(17)7-9-12/h1-9H,(H2,18,19,20,21,22)
InChIKeyAUEOSOVBMOMURL-UHFFFAOYSA-N
MW315.74 g/mol
LogP4.15
Rot. Bonds4

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

6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 23033168) has the molecular formula C15H11ClFN5 and a molecular weight of 315.74 g/mol. Its IUPAC name is 6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID23033168
Molecular FormulaC15H11ClFN5
Molecular Weight315.74 g/mol
Exact Mass315.07
IUPAC Name6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESFc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H11ClFN5/c16-13-20-14(18-11-4-2-1-3-5-11)22-15(21-13)19-12-8-6-10(17)7-9-12/h1-9H,(H2,18,19,20,21,22)
InChIKeyAUEOSOVBMOMURL-UHFFFAOYSA-N
XLogP4.15
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 54.15
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-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 23033168) is 6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine is Fc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AUEOSOVBMOMURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5/c16-13-20-14(18-11-4-2-1-3-5-11)22-15(21-13)19-12-8-6-10(17)7-9-12/h1-9H,(H2,18,19,20,21,22).
What are the key properties of 6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 315.74 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23033168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).