| CAS Number | 1060815-87-3 |
| Catalog Number | AG00HARV(AGN-PC-0WD7KJ) |
| Chemical Name | 4-chloro-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine |
| IUPAC Name | 4-chloro-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C8H8ClN3/c1-4-3-10-8-6(4)7(9)11-5(2)12-8/h3H,1-2H3,(H,10,11,12) |
| InChI Key | VQPDWWNXBVNJDK-UHFFFAOYSA-N |
| MDL Number | MFCD13189358 |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.6222 |
| SMILES | ClC=1C2=C(N=C(N1)C)NC=C2C |
| Synonyms | 4-CHLORO-2,5-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE,
1060815-87-3,
SCHEMBL20182173,
KS-000005TM,
MFCD13189358,
ZINC88189826,
AB68258,
AS-53499,
AJ-128153,
CS-0050939,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.623g/mol |
| Monoisotopic Mass | 181.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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