PI3K-IN-6 5mg

CAT: 0628-A20687-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A20687-5Size:5 mg

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

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CAS Number

1842380-77-1

Chemical Information

PI3K-IN-6

CAS Number	1842380-77-1
PubChem CID	118575663
IUPAC Name	8-chloro-2-[(1S)-1-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]ethyl]-6-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one
Molecular Formula	C17H14Cl2FN9O
Molecular Weight	450.3
XLogP	2.4
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	688

SMILES

C[C@@H](C1=NC2=C(C=C(C=C2Cl)F)C(=O)N1C3=CC=NN3)NC4=NC(=NC(=C4Cl)N)N

InChI

InChI=1S/C17H14Cl2FN9O/c1-6(24-14-11(19)13(21)26-17(22)27-14)15-25-12-8(4-7(20)5-9(12)18)16(30)29(15)10-2-3-23-28-10/h2-6H,1H3,(H,23,28)(H5,21,22,24,26,27)/t6-/m0/s1

InChIKey

SAWISWWSHNTVLW-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 1842380-77-1

CID: 118575663

Formula: C17H14Cl2FN9O

MW: 450.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	450.3
XLogP3	2.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	449.0682397
Monoisotopic Mass	449.0682397
Topological Polar Surface Area	151 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	688
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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PI3K-IN-6 5mg

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