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13922-44-6 | 4(3H)-Pyrimidinone, 5-hydroxy-2-methyl-6-(1-piperidinylmethyl)-
CAS No: 13922-44-6 Catalog No: AG001AI8 MDL No:
Product Description
Catalog Number:
AG001AI8
Chemical Name:
4(3H)-Pyrimidinone, 5-hydroxy-2-methyl-6-(1-piperidinylmethyl)-
CAS Number:
13922-44-6
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
IUPAC Name:
5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H17N3O2/c1-8-12-9(10(15)11(16)13-8)7-14-5-3-2-4-6-14/h15H,2-7H2,1H3,(H,12,13,16)
InChI Key:
NLUOFASCVSIDDR-UHFFFAOYSA-N
SMILES:
Oc1c(CN2CCCCC2)nc([nH]c1=O)C
NSC Number:
101652
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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