PIK-III 500mg

CAT: 0628-A15868-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A15868-500Size:500 mg

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CAS Number

1383716-40-2

Chemical Information

Pik-iii

CAS Number	1383716-40-2
PubChem CID	67983123
IUPAC Name	4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
Molecular Formula	C17H17N7
Molecular Weight	319.4
XLogP	2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	396

SMILES

C1CC1CC2=NC(=NC=C2C3=NC(=NC=C3)NC4=CC=NC=C4)N

InChI

InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)

InChIKey

XXSDLQLNIVFIJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1383716-40-2

CID: 67983123

Formula: C17H17N7

MW: 319.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.4
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	319.15454357
Monoisotopic Mass	319.15454357
Topological Polar Surface Area	103 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	396
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

Catalog	Name
B6160-5	PIK-III
HY-12794-01	Vps34-PIK-III
MBS3601589-01	Vps34 inhibitor PIK-III
MBS5758802	VPS34 inhibitor 1 (Compound 19, PIK-III analogue)
M21136-01	VPS34 inhibitor 1 (Compound 19 PIK-III analogue)
B2188-200	PIK-294
A2080-10	PIK-75
B2187-10	PIK-293