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13943-17-4 | 4(3H)-Pyrimidinone, 5-hydroxy-6-(1-piperidinylmethyl)-
CAS No: 13943-17-4 Catalog No: AG001B0V MDL No:
Product Description
Catalog Number:
AG001B0V
Chemical Name:
4(3H)-Pyrimidinone, 5-hydroxy-6-(1-piperidinylmethyl)-
CAS Number:
13943-17-4
Molecular Formula:
C10H15N3O2
Molecular Weight:
209.2450
IUPAC Name:
5-hydroxy-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H15N3O2/c14-9-8(11-7-12-10(9)15)6-13-4-2-1-3-5-13/h7,14H,1-6H2,(H,11,12,15)
InChI Key:
GTFBJICCEPZKHJ-UHFFFAOYSA-N
SMILES:
Oc1c(nc[nH]c1=O)CN1CCCCC1
NSC Number:
101653
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.249g/mol
Monoisotopic Mass:
209.116g/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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