Home Other Building Blocks 2-(2-phenylethyl)-3,4-dihydropyrimidin-4-one

2-(2-phenylethyl)-3,4-dihydropyrimidin-4-one

CAS No.:
1251377-90-8
Catalog Number:
AG01BCPM
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
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Product Description
Catalog Number:
AG01BCPM
Chemical Name:
2-(2-phenylethyl)-3,4-dihydropyrimidin-4-one
CAS Number:
1251377-90-8
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD14654400
IUPAC Name:
2-(2-phenylethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H12N2O/c15-12-8-9-13-11(14-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,13,14,15)
InChI Key:
NNXXLDCUCHTYBE-UHFFFAOYSA-N
SMILES:
O=c1ccnc([nH]1)CCc1ccccc1
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties