| CAS Number | 1018473-22-7 |
| Catalog Number | AG0005PC(AGN-PC-0WNREY) |
| Chemical Name | 1-(6-chloropyrimidin-4-yl)-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C8H8ClN5/c1-5-2-7(10)14(13-5)8-3-6(9)11-4-12-8/h2-4H,10H2,1H3 |
| InChI Key | IMTBRUGOHDBTTL-UHFFFAOYSA-N |
| MDL Number | MFCD19440630 |
| Molecular Formula | C8H8ClN5 |
| Molecular Weight | 209.6356 |
| SMILES | CC1=NN(C2=NC=NC(Cl)=C2)C(N)=C1 |
| Synonyms | 1-(6-chloropyrimidin-4-yl)-3-methyl-1H-pyrazol-5-amine,
1018473-22-7,
SCHEMBL3582792,
DTXSID30670396,
IMTBRUGOHDBTTL-UHFFFAOYSA-N,
ZINC74942264,
AKOS022171639,
MCULE-5523650432,
NE52697,
EN002151,
AJ-121575,
1H-Pyrazol-5-amine, 1-(6-chloro-4-pyrimidinyl)-3-methyl-,
5-Methyl-2-(6-chloro-pyrimidin-4-yl)-2H-pyrazol-3-ylamine,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.637g/mol |
| Monoisotopic Mass | 209.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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