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19810-79-8 | 4(3H)-Pyrimidinone, 2-(4-morpholinyl)-
CAS No: 19810-79-8 Catalog No: AG002BB8 MDL No:MFCD00234443
Product Description
Catalog Number:
AG002BB8
Chemical Name:
4(3H)-Pyrimidinone, 2-(4-morpholinyl)-
CAS Number:
19810-79-8
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD00234443
IUPAC Name:
2-morpholin-4-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H11N3O2/c12-7-1-2-9-8(10-7)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,9,10,12)
InChI Key:
KWNBVCKOPJXOIC-UHFFFAOYSA-N
SMILES:
O=c1ccnc([nH]1)N1CCOCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Coupling reaction between electron-rich pyrimidinones and α-amino acids promoted by phosphonium salts. | Organic & biomolecular chemistry 20110907 |
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