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Home > Aldehydes > 211245-64-6
211245-64-6 | 5-Pyrimidinecarboxaldehyde, 4-(cyclopentylamino)-2-(methylthio)-
CAS No: 211245-64-6 Catalog No: AG002L8Y MDL No:MFCD09833996
Product Description
Catalog Number:
AG002L8Y
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4-(cyclopentylamino)-2-(methylthio)-
CAS Number:
211245-64-6
Molecular Formula:
C11H15N3OS
Molecular Weight:
237.3213
MDL Number:
MFCD09833996
IUPAC Name:
4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C11H15N3OS/c1-16-11-12-6-8(7-15)10(14-11)13-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,12,13,14)
InChI Key:
QKRVSWPBAOCWHY-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)NC1CCCC1)C=O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.321g/mol
Monoisotopic Mass:
237.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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