4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C12H12F2N4O2 — CID 80862644

IUPAC4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C12H12F2N4O2/c1-6(2)19-11-16-10(15)17-12(18-11)20-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyKIAFJIIOVDYPAW-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.31
Rot. Bonds4

About 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80862644) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80862644
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C12H12F2N4O2/c1-6(2)19-11-16-10(15)17-12(18-11)20-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyKIAFJIIOVDYPAW-UHFFFAOYSA-N
XLogP2.31
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80863931
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107287473
4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80867191
4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883341
4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine
CID 80862564
2-(2,4-difluorophenoxy)pyrimidin-4-amine
CID 116797635
4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887729
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870869
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
3-(2,4-difluorophenoxy)pyrazin-2-amine
CID 102987748
4-(2,3-difluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80879795

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80862644) is 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(Oc2ccc(F)cc2F)n1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is KIAFJIIOVDYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-6(2)19-11-16-10(15)17-12(18-11)20-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 282.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80862644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).