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Home > Pyridines > 1594879-02-3
1594879-02-3 | 2-(3-methylbutyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CAS No: 1594879-02-3 Catalog No: AG01EJ8B MDL No:
Product Description
Catalog Number:
AG01EJ8B
Chemical Name:
2-(3-methylbutyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CAS Number:
1594879-02-3
Molecular Formula:
C12H19N3
Molecular Weight:
205.2994
IUPAC Name:
2-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
InChI:
InChI=1S/C12H19N3/c1-9(2)3-4-12-14-8-10-7-13-6-5-11(10)15-12/h8-9,13H,3-7H2,1-2H3
InChI Key:
WSTDTQJOCGECKK-UHFFFAOYSA-N
SMILES:
CC(CCc1ncc2c(n1)CCNC2)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.305g/mol
Monoisotopic Mass:
205.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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