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

C13H15ClFN5 — CID 3473341

IUPAC2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H15ClFN5/c1-13(2,3)20-12-18-10(14)17-11(19-12)16-9-6-4-8(15)5-7-9/h4-7H,1-3H3,(H2,16,17,18,19,20)
InChIKeyHGPPAAXPCGEUCC-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.62
Rot. Bonds3

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

2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 3473341) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID3473341
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H15ClFN5/c1-13(2,3)20-12-18-10(14)17-11(19-12)16-9-6-4-8(15)5-7-9/h4-7H,1-3H3,(H2,16,17,18,19,20)
InChIKeyHGPPAAXPCGEUCC-UHFFFAOYSA-N
XLogP3.62
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 3473341) is 2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Cl)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HGPPAAXPCGEUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-13(2,3)20-12-18-10(14)17-11(19-12)16-9-6-4-8(15)5-7-9/h4-7H,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 295.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3473341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).