1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C13H17F2N5O — CID 67730273

IUPAC1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCCc1c(F)cccc1F
InChIInChI=1S/C13H17F2N5O/c1-13(2)19-11(16)18-12(17)20(13)21-7-6-8-9(14)4-3-5-10(8)15/h3-5H,6-7H2,1-2H3,(H4,16,17,18,19)
InChIKeyWTHMVPUKJQYKEQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 67730273) has the molecular formula C13H17F2N5O and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID67730273
Molecular FormulaC13H17F2N5O
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCCc1c(F)cccc1F
InChIInChI=1S/C13H17F2N5O/c1-13(2)19-11(16)18-12(17)20(13)21-7-6-8-9(14)4-3-5-10(8)15/h3-5H,6-7H2,1-2H3,(H4,16,17,18,19)
InChIKeyWTHMVPUKJQYKEQ-UHFFFAOYSA-N
XLogP1.12
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 67730273) is 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1OCCc1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WTHMVPUKJQYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5O/c1-13(2)19-11(16)18-12(17)20(13)21-7-6-8-9(14)4-3-5-10(8)15/h3-5H,6-7H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 297.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67730273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).