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88964-17-4 | 2-Pyrimidinamine, N-[4-(chloromethyl)-2-thiazolyl]-1,4,5,6-tetrahydro-
CAS No: 88964-17-4 Catalog No: AG0045X5 MDL No:
Product Description
Catalog Number:
AG0045X5
Chemical Name:
2-Pyrimidinamine, N-[4-(chloromethyl)-2-thiazolyl]-1,4,5,6-tetrahydro-
CAS Number:
88964-17-4
Molecular Formula:
C8H11ClN4S
Molecular Weight:
230.7177
IUPAC Name:
4-(chloromethyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C8H11ClN4S/c9-4-6-5-14-8(12-6)13-7-10-2-1-3-11-7/h5H,1-4H2,(H2,10,11,12,13)
InChI Key:
MSVMRNKZEMNEIJ-UHFFFAOYSA-N
SMILES:
ClCc1csc(n1)NC1=NCCCN1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.714g/mol
Monoisotopic Mass:
230.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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