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1269293-90-4 | Pyrimidine, 2-[1-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-
CAS No: 1269293-90-4 Catalog No: AG000WE1 MDL No:MFCD20275448
Product Description
Catalog Number:
AG000WE1
Chemical Name:
Pyrimidine, 2-[1-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-
CAS Number:
1269293-90-4
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
MDL Number:
MFCD20275448
IUPAC Name:
2-(2-tert-butylpyrazol-3-yl)pyrimidine
InChI:
InChI=1S/C11H14N4/c1-11(2,3)15-9(5-8-14-15)10-12-6-4-7-13-10/h4-8H,1-3H3
InChI Key:
DNXRMICPOBQBJM-UHFFFAOYSA-N
SMILES:
CC(n1nccc1c1ncccn1)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.261g/mol
Monoisotopic Mass:
202.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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