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

C17H15F2N5O — CID 882000

IUPAC6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Nc2ccc(F)cc2)nc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C17H15F2N5O/c1-24(2)16-21-15(20-13-7-3-11(18)4-8-13)22-17(23-16)25-14-9-5-12(19)6-10-14/h3-10H,1-2H3,(H,20,21,22,23)
InChIKeyCLYMHUIVOSPGLS-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.75
Rot. Bonds5

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

6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 882000) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID882000
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Nc2ccc(F)cc2)nc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C17H15F2N5O/c1-24(2)16-21-15(20-13-7-3-11(18)4-8-13)22-17(23-16)25-14-9-5-12(19)6-10-14/h3-10H,1-2H3,(H,20,21,22,23)
InChIKeyCLYMHUIVOSPGLS-UHFFFAOYSA-N
XLogP3.75
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 882000) is 6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Nc2ccc(F)cc2)nc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CLYMHUIVOSPGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-24(2)16-21-15(20-13-7-3-11(18)4-8-13)22-17(23-16)25-14-9-5-12(19)6-10-14/h3-10H,1-2H3,(H,20,21,22,23).
What are the key properties of 6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 343.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 882000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).