Home Halogens 4-chloro-N-[2-(propan-2-yl)oxan-3-yl]pyrimidin-2-amine

4-chloro-N-[2-(propan-2-yl)oxan-3-yl]pyrimidin-2-amine

CAS No.:
1803571-57-4
Catalog Number:
AG01BEHG
Molecular Formula:
C12H18ClN3O
Molecular Weight:
255.7438
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Product Description
Catalog Number:
AG01BEHG
Chemical Name:
4-chloro-N-[2-(propan-2-yl)oxan-3-yl]pyrimidin-2-amine
CAS Number:
1803571-57-4
Molecular Formula:
C12H18ClN3O
Molecular Weight:
255.7438
MDL Number:
MFCD28118347
IUPAC Name:
4-chloro-N-(2-propan-2-yloxan-3-yl)pyrimidin-2-amine
InChI:
InChI=1S/C12H18ClN3O/c1-8(2)11-9(4-3-7-17-11)15-12-14-6-5-10(13)16-12/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,14,15,16)
InChI Key:
PRKFPUCFMGIJMN-UHFFFAOYSA-N
SMILES:
CC(C1OCCCC1Nc1nccc(n1)Cl)C
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.114g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.746g/mol
Monoisotopic Mass:
255.114g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties