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1000335-27-2

1000335-27-2 | 4-Pyrimidinamine, 2-chloro-5-methoxy-N-4-piperidinyl-

CAS No: 1000335-27-2 Catalog No: AG0000CR MDL No:

Product Description

Catalog Number:
AG0000CR
Chemical Name:
4-Pyrimidinamine, 2-chloro-5-methoxy-N-4-piperidinyl-
CAS Number:
1000335-27-2
Molecular Formula:
C10H15ClN4O
Molecular Weight:
242.7053
IUPAC Name:
2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine
InChI:
InChI=1S/C10H15ClN4O/c1-16-8-6-13-10(11)15-9(8)14-7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H,13,14,15)
InChI Key:
ZDLILMQNLSEPLK-UHFFFAOYSA-N
SMILES:
COc1cnc(nc1NC1CCNCC1)Cl

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.093g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.707g/mol
Monoisotopic Mass:
242.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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