Sbp-7455

CAT: 0127-BUP00584-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP00584-02Size:10 mg

Selected

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

Quick Request Actions

CAS Number

1884222-74-5

Purity

=95%

Smiles

COc1ccc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cc1OC

Chemical Information

N4-cyclopropyl-N2-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

CAS Number	1884222-74-5
PubChem CID	132178569
IUPAC Name	4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
Molecular Formula	C16H17F3N4O2
Molecular Weight	354.33
XLogP	3.8
Topological Polar Surface Area	68.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	436

SMILES

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C(F)(F)F)OC

InChI

InChI=1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23)

InChIKey

BQROJYIEHOOQBY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1884222-74-5

CID: 132178569

Formula: C16H17F3N4O2

MW: 354.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.33
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	354.13036028
Monoisotopic Mass	354.13036028
Topological Polar Surface Area	68.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	436
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