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138420-47-0 | 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-7-[3,3-bis(hydroxymethyl)cyclobutyl]-3,7-dihydro-
CAS No: 138420-47-0 Catalog No: AG00193Z MDL No:
Product Description
Catalog Number:
AG00193Z
Chemical Name:
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-7-[3,3-bis(hydroxymethyl)cyclobutyl]-3,7-dihydro-
CAS Number:
138420-47-0
Molecular Formula:
C12H16N4O3
Molecular Weight:
264.2804
IUPAC Name:
2-amino-7-[3,3-bis(hydroxymethyl)cyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C12H16N4O3/c13-11-14-9-8(10(19)15-11)1-2-16(9)7-3-12(4-7,5-17)6-18/h1-2,7,17-18H,3-6H2,(H3,13,14,15,19)
InChI Key:
ZUHBBCQMRSQBKI-UHFFFAOYSA-N
SMILES:
OCC1(CO)CC(C1)n1ccc2c1nc(N)[nH]c2=O
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
264.285g/mol
Monoisotopic Mass:
264.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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