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Home > Aldehydes > 121553-35-3
121553-35-3 | 4-Pyrimidinecarboxaldehyde, 6-cyclopropyl-2-(phenylamino)-
CAS No: 121553-35-3 Catalog No: AG00159Y MDL No:
Product Description
Catalog Number:
AG00159Y
Chemical Name:
4-Pyrimidinecarboxaldehyde, 6-cyclopropyl-2-(phenylamino)-
CAS Number:
121553-35-3
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
2-anilino-6-cyclopropylpyrimidine-4-carbaldehyde
InChI:
InChI=1S/C14H13N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,15,16,17)
InChI Key:
MXPSCGSBENHTFF-UHFFFAOYSA-N
SMILES:
O=Cc1nc(Nc2ccccc2)nc(c1)C1CC1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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