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874606-55-0 | 6-tert-butyl-2-(pyridin-2-yl)pyrimidin-4-ol
CAS No: 874606-55-0 Catalog No: AG00IELW MDL No:MFCD00973775
Product Description
Catalog Number:
AG00IELW
Chemical Name:
6-tert-butyl-2-(pyridin-2-yl)pyrimidin-4-ol
CAS Number:
874606-55-0
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD00973775
IUPAC Name:
4-tert-butyl-2-pyridin-2-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C13H15N3O/c1-13(2,3)10-8-11(17)16-12(15-10)9-6-4-5-7-14-9/h4-8H,1-3H3,(H,15,16,17)
InChI Key:
IAZVVJBYFVNPJJ-UHFFFAOYSA-N
SMILES:
Oc1nc(nc(c1)C(C)(C)C)c1ccccn1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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