AZ3976

CAT: 0127-BUP05786-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05786-02Size:10 mg

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

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CAS Number

1418747-15-5

Synonyms

AZ 3976, AZ-3976

Purity

=98%

Smiles

O=C1C=2C(NC(NC3CN(C(OC(C)(C)C)=O)C3)=N1)=NC=CC2

Chemical Information

Tert-Butyl 3-[(4-Oxo-3h-Pyrido[2,3-D]pyrimidin-2-Yl)amino]azetidine-1-Carboxylate

CAS Number	1418747-15-5
PubChem CID	135566649
IUPAC Name	tert-butyl 3-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxylate
Molecular Formula	C15H19N5O3
Molecular Weight	317.34
XLogP	0.5
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	522

SMILES

CC(C)(C)OC(=O)N1CC(C1)NC2=NC3=C(C=CC=N3)C(=O)N2

InChI

InChI=1S/C15H19N5O3/c1-15(2,3)23-14(22)20-7-9(8-20)17-13-18-11-10(12(21)19-13)5-4-6-16-11/h4-6,9H,7-8H2,1-3H3,(H2,16,17,18,19,21)

InChIKey

CKUDSTVQYFRZJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1418747-15-5

CID: 135566649

Formula: C15H19N5O3

MW: 317.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.34
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	317.14878949
Monoisotopic Mass	317.14878949
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	522
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
OR1025703-01	AZ3146
BUP05917-01	AZ3146

Catalog	Name
BA8059-1	AZ3976