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24722-42-7 | 2,4(1H,3H)-Pyrimidinedione, 5-methyl-6-[(phenylmethyl)amino]-
CAS No: 24722-42-7 Catalog No: AG002P88 MDL No:
Product Description
Catalog Number:
AG002P88
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-methyl-6-[(phenylmethyl)amino]-
CAS Number:
24722-42-7
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
6-(benzylamino)-5-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C12H13N3O2/c1-8-10(14-12(17)15-11(8)16)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H3,13,14,15,16,17)
InChI Key:
MQZPZYWLBWGRRD-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(NCc2ccccc2)c(c(=O)[nH]1)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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