TH287 hydrochloride

CAT: 0926-NQC21105-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-NQC21105-02Size:100 mg

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CAS Number

1638211-05-8

Smiles

CNC1=NC (=NC (=C1) C2=C (C (=CC=C2) Cl) Cl) N.Cl

Molecular Formula

C11H11Cl3N4

Molecular Weight

305.6 g/mol

Controlled

Chemical Information

TH287 (hydrochloride)

CAS Number	1638211-05-8
PubChem CID	91826506
IUPAC Name	6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;hydrochloride
Molecular Formula	C11H11Cl3N4
Molecular Weight	305.6
Topological Polar Surface Area	63.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	254

SMILES

CNC1=NC(=NC(=C1)C2=C(C(=CC=C2)Cl)Cl)N.Cl

InChI

InChI=1S/C11H10Cl2N4.ClH/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13;/h2-5H,1H3,(H3,14,15,16,17);1H

InChIKey

YBLIJWDQSUDCJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1638211-05-8

CID: 91826506

Formula: C11H11Cl3N4

MW: 305.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	304.004929
Monoisotopic Mass	304.004929
Topological Polar Surface Area	63.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	254
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	2
Compound Is Canonicalized	Yes

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