| CAS Number | 922723-25-9 |
| Catalog Number | AG019ERO |
| Chemical Name | 2-[4-(Prop-2-YN-1-YL)piperazin-1-YL]pyrimidine |
| IUPAC Name | 2-(4-prop-2-ynylpiperazin-1-yl)pyrimidine |
| InChI | InChI=1S/C11H14N4/c1-2-6-14-7-9-15(10-8-14)11-12-4-3-5-13-11/h1,3-5H,6-10H2 |
| InChI Key | MUTPFTWCSRAELY-UHFFFAOYSA-N |
| MDL Number | MFCD13546044 |
| Molecular Formula | C11H14N4 |
| Molecular Weight | 202.2557 |
| SMILES | C#CCN1CCN(CC1)c1ncccn1 |
| Synonyms | 922723-25-9,
2-(4-(Prop-2-yn-1-yl)piperazin-1-yl)pyrimidine,
2-[4-(PROP-2-YN-1-YL)PIPERAZIN-1-YL]PYRIMIDINE,
SCHEMBL926857,
Pyrimidine, 2-[4-(2-propyn-1-yl)-1-piperazinyl]-,
MFCD13546044,
ZINC40460974,
AKOS008958513,
MCULE-7697849650,
2-(4-prop-2-ynylpiperazin-1-yl)pyrimidine,
CS-0059699,
Z52665455,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.261g/mol |
| Monoisotopic Mass | 202.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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