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240115-83-7 | 1-phenyl-3-[4-(pyridin-2-yl)pyrimidin-2-yl]urea
CAS No: 240115-83-7 Catalog No: AG00IMSV MDL No:MFCD00202354
Product Description
Catalog Number:
AG00IMSV
Chemical Name:
1-phenyl-3-[4-(pyridin-2-yl)pyrimidin-2-yl]urea
CAS Number:
240115-83-7
Molecular Formula:
C16H13N5O
Molecular Weight:
291.3073
MDL Number:
MFCD00202354
IUPAC Name:
1-phenyl-3-(4-pyridin-2-ylpyrimidin-2-yl)urea
InChI:
InChI=1S/C16H13N5O/c22-16(19-12-6-2-1-3-7-12)21-15-18-11-9-14(20-15)13-8-4-5-10-17-13/h1-11H,(H2,18,19,20,21,22)
InChI Key:
QCOHYBVSNVRQIO-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccc(n1)c1ccccn1)Nc1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.314g/mol
Monoisotopic Mass:
291.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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