Home Halogens 2-[bis(propan-2-yl)amino]-4,6-dichloropyrimidine-5-carboxylic acid

2-[bis(propan-2-yl)amino]-4,6-dichloropyrimidine-5-carboxylic acid

CAS No.:
1803596-86-2
Catalog Number:
AG01AF6R
Molecular Formula:
C11H15Cl2N3O2
Molecular Weight:
292.1617
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Product Description
Catalog Number:
AG01AF6R
Chemical Name:
2-[bis(propan-2-yl)amino]-4,6-dichloropyrimidine-5-carboxylic acid
CAS Number:
1803596-86-2
Molecular Formula:
C11H15Cl2N3O2
Molecular Weight:
292.1617
MDL Number:
MFCD27500745
IUPAC Name:
4,6-dichloro-2-[di(propan-2-yl)amino]pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C11H15Cl2N3O2/c1-5(2)16(6(3)4)11-14-8(12)7(10(17)18)9(13)15-11/h5-6H,1-4H3,(H,17,18)
InChI Key:
PLZNSPAYIDLWRE-UHFFFAOYSA-N
SMILES:
CC(N(c1nc(Cl)c(c(n1)Cl)C(=O)O)C(C)C)C
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.054g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
292.16g/mol
Monoisotopic Mass:
291.054g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties