AGI-026

CAT: 0127-BUP20981-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP20981-02Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1446501-77-4

Synonyms

AGI12026 | AGI-12026 | AGI026 | AGI 026

Purity

=98%

Smiles

FC(F)(F)C1=NC(=CC=C1)C=2N=C(N=C(N2)NC(C)C)NC=3C=CN=C(C3)C(F)(F)F

Chemical Information

2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

CAS Number	1446501-77-4
PubChem CID	89684116
IUPAC Name	2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
Molecular Formula	C18H15F6N7
Molecular Weight	443.3
XLogP	4.4
Topological Polar Surface Area	88.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	573

SMILES

CC(C)NC1=NC(=NC(=N1)NC2=CC(=NC=C2)C(F)(F)F)C3=NC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H15F6N7/c1-9(2)26-15-29-14(11-4-3-5-12(28-11)17(19,20)21)30-16(31-15)27-10-6-7-25-13(8-10)18(22,23)24/h3-9H,1-2H3,(H2,25,26,27,29,30,31)

InChIKey

DWIQMUBNZXFUDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1446501-77-4

CID: 89684116

Formula: C18H15F6N7

MW: 443.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	443.3
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	5
Exact Mass	443.12931248
Monoisotopic Mass	443.12931248
Topological Polar Surface Area	88.5 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	573
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes