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93715-38-9 | 2-tert-butyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 93715-38-9 Catalog No: AG01BYRN MDL No:MFCD30487348
Product Description
Catalog Number:
AG01BYRN
Chemical Name:
2-tert-butyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
93715-38-9
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
MDL Number:
MFCD30487348
IUPAC Name:
2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C12H18N2O/c1-12(2,3)9-8-11(15)14-7-5-4-6-10(14)13-9/h8H,4-7H2,1-3H3
InChI Key:
CQGFJLWQIUSXKE-UHFFFAOYSA-N
SMILES:
O=c1cc(nc2n1CCCC2)C(C)(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.289g/mol
Monoisotopic Mass:
206.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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