Home Other Building Blocks ETHYL 2-ETHYL-4-PROPAN-2-YLPYRIMIDINE-5-CARBOXYLATE

ETHYL 2-ETHYL-4-PROPAN-2-YLPYRIMIDINE-5-CARBOXYLATE

CAS No.:
887410-44-8
Catalog Number:
AG01BN66
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
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Product Description
Catalog Number:
AG01BN66
Chemical Name:
ETHYL 2-ETHYL-4-PROPAN-2-YLPYRIMIDINE-5-CARBOXYLATE
CAS Number:
887410-44-8
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD07367429
IUPAC Name:
ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C12H18N2O2/c1-5-10-13-7-9(12(15)16-6-2)11(14-10)8(3)4/h7-8H,5-6H2,1-4H3
InChI Key:
NMHSQRMCDIMJJI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1C(C)C)CC
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties