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21062-28-2 | Guanidine, N-(3,4-dichlorophenyl)-N'-[4-[(1-ethyl-3-piperidinyl)amino]-6-methyl-2-pyrimidinyl]-
CAS No: 21062-28-2 Catalog No: AG002KVZ MDL No:
Product Description
Catalog Number:
AG002KVZ
Chemical Name:
Guanidine, N-(3,4-dichlorophenyl)-N'-[4-[(1-ethyl-3-piperidinyl)amino]-6-methyl-2-pyrimidinyl]-
CAS Number:
21062-28-2
Molecular Formula:
C19H25Cl2N7
Molecular Weight:
422.3547
IUPAC Name:
1-(3,4-dichlorophenyl)-2-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]guanidine
InChI:
InChI=1S/C19H25Cl2N7/c1-3-28-8-4-5-14(11-28)24-17-9-12(2)23-19(26-17)27-18(22)25-13-6-7-15(20)16(21)10-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H4,22,23,24,25,26,27)
InChI Key:
ULEFBGMSKLBBKF-UHFFFAOYSA-N
SMILES:
CCN1CCCC(C1)Nc1nc(nc(c1)C)NC(=N)Nc1ccc(c(c1)Cl)Cl
NSC Number:
129407
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
421.155g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
422.358g/mol
Monoisotopic Mass:
421.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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