| CAS Number | 885460-89-9 |
| Catalog Number | AG019NP5 |
| Chemical Name | 4-Chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine |
| IUPAC Name | 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine |
| InChI | InChI=1S/C11H13ClN2S/c1-6(2)4-8-5-15-11-9(8)10(12)13-7(3)14-11/h5-6H,4H2,1-3H3 |
| InChI Key | ZCQYWAMMEQOPIM-UHFFFAOYSA-N |
| MDL Number | MFCD06660735 |
| Molecular Formula | C11H13ClN2S |
| Molecular Weight | 240.7523 |
| SMILES | CC(CC1C2=C(N=C(N=C2Cl)C)SC=1)C |
| Synonyms | 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine,
885460-89-9,
AC1NLPDA,
AC1Q1P94,
CTK6A7167,
ZINC4204584,
AKOS000122967,
MCULE-2013457807,
NE43861,
EN300-11396,
4-CHLORO-5-ISOBUTYL-2-METHYLTHIENO[2,3-D]PYRIMIDINE,
ZINC04204584,
CID4961605,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.749g/mol |
| Monoisotopic Mass | 240.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number