| CAS Number | 890094-38-9 |
| Catalog Number | AG00H26D(AGN-PC-0WR41N) |
| Chemical Name | (2-chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amine |
| IUPAC Name | 2-chloro-5-nitro-N-propan-2-ylpyrimidin-4-amine |
| InChI | InChI=1S/C7H9ClN4O2/c1-4(2)10-6-5(12(13)14)3-9-7(8)11-6/h3-4H,1-2H3,(H,9,10,11) |
| InChI Key | XGDPRAOPHIPUTB-UHFFFAOYSA-N |
| MDL Number | MFCD07440214 |
| Molecular Formula | C7H9ClN4O2 |
| Molecular Weight | 216.6250 |
| SMILES | CC(C)Nc1c(cnc(n1)Cl)N(=O)=O |
| Synonyms | 2-Chloro-N-isopropyl-5-nitropyrimidin-4-amine,
890094-38-9,
2-chloro-5-nitro-N-propan-2-ylpyrimidin-4-amine,
AC1OGDPZ,
SCHEMBL1496408,
KS-00000TVH,
XGDPRAOPHIPUTB-UHFFFAOYSA-N,
ZINC4243354,
ZX-AL000833,
MFCD07440214,
AKOS000320346,
FCH1383214,
AK548903,
BBV-40259321,
DS-19468,
2-chloro-4-isopropylamino-5-nitropyrimidine,
4-Pyrimidinamine, 2-chloro-N-(1-methylethyl)-5-nitro-,
ZINC04243354,
CID7147235,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.625g/mol |
| Monoisotopic Mass | 216.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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