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100052-02-6 | 4(3H)-Pyrimidinone, 6-amino-2-methyl-5-(1-piperidinylmethyl)-
CAS No: 100052-02-6 Catalog No: AG0000PC MDL No:
Product Description
Catalog Number:
AG0000PC
Chemical Name:
4(3H)-Pyrimidinone, 6-amino-2-methyl-5-(1-piperidinylmethyl)-
CAS Number:
100052-02-6
Molecular Formula:
C11H18N4O
Molecular Weight:
222.2868
IUPAC Name:
4-amino-2-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H18N4O/c1-8-13-10(12)9(11(16)14-8)7-15-5-3-2-4-6-15/h2-7H2,1H3,(H3,12,13,14,16)
InChI Key:
KDWKJKNAVLRVSL-UHFFFAOYSA-N
SMILES:
Nc1nc(C)[nH]c(=O)c1CN1CCCCC1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.148g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.292g/mol
Monoisotopic Mass:
222.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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