2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C16H13ClFN5O — CID 69017347

IUPAC2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(F)c(-c2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H13ClFN5O/c1-24-11-6-7-13(18)12(8-11)14-21-15(19)23-16(22-14)20-10-4-2-9(17)3-5-10/h2-8H,1H3,(H3,19,20,21,22,23)
InChIKeyQQQCOIAWDDIMGO-UHFFFAOYSA-N
MW345.77 g/mol
LogP3.67
Rot. Bonds4

About 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 69017347) has the molecular formula C16H13ClFN5O and a molecular weight of 345.77 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID69017347
Molecular FormulaC16H13ClFN5O
Molecular Weight345.77 g/mol
Exact Mass345.08
IUPAC Name2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(F)c(-c2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H13ClFN5O/c1-24-11-6-7-13(18)12(8-11)14-21-15(19)23-16(22-14)20-10-4-2-9(17)3-5-10/h2-8H,1H3,(H3,19,20,21,22,23)
InChIKeyQQQCOIAWDDIMGO-UHFFFAOYSA-N
XLogP3.67
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 69017347) is 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(F)c(-c2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QQQCOIAWDDIMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c1-24-11-6-7-13(18)12(8-11)14-21-15(19)23-16(22-14)20-10-4-2-9(17)3-5-10/h2-8H,1H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 345.77 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 69017347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).