PSB-1584

CAT: 0926-XCA25576-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-XCA25576-01Size:5 mg

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

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CAS Number

72255-76-6

Smiles

CCCCCCNC1=CC (=O) NC (=O) N1

Molecular Formula

C10H17N3O2

Molecular Weight

211.26 g/mol

Shipping Conditions

Cool Pack

Controlled

Chemical Information

6-Hexylamino-1H-pyrimidine-2,4-dione

CAS Number	72255-76-6
PubChem CID	44349321
IUPAC Name	6-(hexylamino)-1H-pyrimidine-2,4-dione
Molecular Formula	C10H17N3O2
Molecular Weight	211.26
XLogP	1.6
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	274

SMILES

CCCCCCNC1=CC(=O)NC(=O)N1

InChI

InChI=1S/C10H17N3O2/c1-2-3-4-5-6-11-8-7-9(14)13-10(15)12-8/h7H,2-6H2,1H3,(H3,11,12,13,14,15)

InChIKey

SDXQSUJXSHUIBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72255-76-6

CID: 44349321

Formula: C10H17N3O2

MW: 211.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.26
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	211.132076794
Monoisotopic Mass	211.132076794
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	274
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