5-Cyclopropyluracil

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CAS Number

59698-20-3

MDL Number

MFCD06800532

Purity

=95%

Smiles

O=C1NC=C(C2CC2)C(=O)N1

Chemical Information

5-Cyclopropyluracil

CAS Number	59698-20-3
PubChem CID	6991953
IUPAC Name	5-cyclopropyl-1H-pyrimidine-2,4-dione
Molecular Formula	C7H8N2O2
Molecular Weight	152.15
XLogP	-0.1
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	253

SMILES

C1CC1C2=CNC(=O)NC2=O

InChI

InChI=1S/C7H8N2O2/c10-6-5(4-1-2-4)3-8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)

InChIKey

KGXDLKKSLKCKNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59698-20-3

CID: 6991953

Formula: C7H8N2O2

MW: 152.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	152.058577502
Monoisotopic Mass	152.058577502
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	253
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

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