Home Other Building Blocks 6-(pyrrolidin-3-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride

6-(pyrrolidin-3-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride

CAS No.:
1909325-59-2
Catalog Number:
AG01C59Y
Molecular Formula:
C8H12ClN3O2
Molecular Weight:
217.6528
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Product Description
Catalog Number:
AG01C59Y
Chemical Name:
6-(pyrrolidin-3-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CAS Number:
1909325-59-2
Molecular Formula:
C8H12ClN3O2
Molecular Weight:
217.6528
MDL Number:
MFCD29763347
IUPAC Name:
6-pyrrolidin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
InChI:
InChI=1S/C8H11N3O2.ClH/c12-7-3-6(10-8(13)11-7)5-1-2-9-4-5;/h3,5,9H,1-2,4H2,(H2,10,11,12,13);1H
InChI Key:
QPVKPOMJUJHQJW-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(c1)C1CCNC1.Cl
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
217.653g/mol
Monoisotopic Mass:
217.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties