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1439903-13-5 | 6-[(Oxan-4-ylmethyl)amino]pyrimidine-4-carboxylic acid
CAS No: 1439903-13-5 Catalog No: AG01F811 MDL No:
Product Description
Catalog Number:
AG01F811
Chemical Name:
6-[(Oxan-4-ylmethyl)amino]pyrimidine-4-carboxylic acid
CAS Number:
1439903-13-5
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
IUPAC Name:
6-(oxan-4-ylmethylamino)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C11H15N3O3/c15-11(16)9-5-10(14-7-13-9)12-6-8-1-3-17-4-2-8/h5,7-8H,1-4,6H2,(H,15,16)(H,12,13,14)
InChI Key:
FAYWPHFWTHKRNO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc(c1)NCC1CCOCC1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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