| CAS Number | 329268-85-1 |
| Catalog Number | AG019W2V |
| Chemical Name | 2-[Butyl(methyl)amino]-5-chloropyrimidine-4-carboxylic acid |
| IUPAC Name | 2-[butyl(methyl)amino]-5-chloropyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C10H14ClN3O2/c1-3-4-5-14(2)10-12-6-7(11)8(13-10)9(15)16/h6H,3-5H2,1-2H3,(H,15,16) |
| InChI Key | YZNBLNJBPVVSBL-UHFFFAOYSA-N |
| MDL Number | MFCD02709790 |
| Molecular Formula | C10H14ClN3O2 |
| Molecular Weight | 243.6901 |
| SMILES | CCCCN(C1=NC(C(O)=O)=C(Cl)C=N1)C |
| Synonyms | 2-[butyl(methyl)amino]-5-chloropyrimidine-4-carboxylic acid,
329268-85-1,
SMR000065637,
AC1Q2WQM,
AC1M4P3W,
Oprea1_775766,
MLS000055236,
CHEMBL1367641,
CTK6E2009,
HMS2487I16,
ZINC3175685,
AKOS034453527,
MCULE-4037566855,
NE55003,
EN300-50314,
SR-01000027814,
SR-01000027814-1,
Z56779711,
CID2312489,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.691g/mol |
| Monoisotopic Mass | 243.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number