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

C18H18F3N5O — CID 134126209

IUPAC1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCc1cc(-c2c(F)cccc2F)ccc1F
InChIInChI=1S/C18H18F3N5O/c1-18(2)25-16(22)24-17(23)26(18)27-9-11-8-10(6-7-12(11)19)15-13(20)4-3-5-14(15)21/h3-8H,9H2,1-2H3,(H4,22,23,24,25)
InChIKeyMQIDBMIJPUCGOY-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.88
Rot. Bonds4

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

1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 134126209) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID134126209
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCc1cc(-c2c(F)cccc2F)ccc1F
InChIInChI=1S/C18H18F3N5O/c1-18(2)25-16(22)24-17(23)26(18)27-9-11-8-10(6-7-12(11)19)15-13(20)4-3-5-14(15)21/h3-8H,9H2,1-2H3,(H4,22,23,24,25)
InChIKeyMQIDBMIJPUCGOY-UHFFFAOYSA-N
XLogP2.88
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 134126209) is 1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1OCc1cc(-c2c(F)cccc2F)ccc1F.
What is the InChIKey of 1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MQIDBMIJPUCGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-18(2)25-16(22)24-17(23)26(18)27-9-11-8-10(6-7-12(11)19)15-13(20)4-3-5-14(15)21/h3-8H,9H2,1-2H3,(H4,22,23,24,25).
What are the key properties of 1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 377.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134126209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).