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Home > Pyridines > 1096957-99-1
1096957-99-1 | 5,6-dimethyl-7-(pyridin-2-ylmethyl)-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-imine
CAS No: 1096957-99-1 Catalog No: AG01AH7G MDL No:MFCD12653380
Product Description
Catalog Number:
AG01AH7G
Chemical Name:
5,6-dimethyl-7-(pyridin-2-ylmethyl)-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-imine
CAS Number:
1096957-99-1
Molecular Formula:
C14H15N5
Molecular Weight:
253.3024
MDL Number:
MFCD12653380
IUPAC Name:
5,6-dimethyl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C14H15N5/c1-9-10(2)19(7-11-5-3-4-6-16-11)14-12(9)13(15)17-8-18-14/h3-6,8H,7H2,1-2H3,(H2,15,17,18)
InChI Key:
BUSJMOLOMJTCJY-UHFFFAOYSA-N
SMILES:
N=c1nc[nH]c2c1c(C)c(n2Cc1ccccn1)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.309g/mol
Monoisotopic Mass:
253.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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