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137281-08-4 | N-(4-Oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl);pivalamide
CAS No: 137281-08-4 Catalog No: AG00131S MDL No:MFCD11109810
Product Description
Catalog Number:
AG00131S
Chemical Name:
N-(4-Oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl);pivalamide
CAS Number:
137281-08-4
Molecular Formula:
C11H14N4O2
Molecular Weight:
234.2545
MDL Number:
MFCD11109810
IUPAC Name:
2,2-dimethyl-N-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)propanamide
InChI:
InChI=1S/C11H14N4O2/c1-11(2,3)9(17)15-10-13-7-6(4-5-12-7)8(16)14-10/h4-5H,1-3H3,(H3,12,13,14,15,16,17)
InChI Key:
LEGZZSRPJRCXSF-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1[nH]c(=O)c2c(n1)[nH]cc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.259g/mol
Monoisotopic Mass:
234.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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