| CAS Number | 926188-80-9 |
| Catalog Number | AG01A8TP(AGN-PC-0WO4UR) |
| Chemical Name | 1-(4-Methoxypyrimidin-2-yl)-1,4-diazepane |
| IUPAC Name | 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane |
| InChI | InChI=1S/C10H16N4O/c1-15-9-3-5-12-10(13-9)14-7-2-4-11-6-8-14/h3,5,11H,2,4,6-8H2,1H3 |
| InChI Key | UNNMAGOIVGASDQ-UHFFFAOYSA-N |
| MDL Number | MFCD09049854 |
| Molecular Formula | C10H16N4O |
| Molecular Weight | 208.2602 |
| SMILES | COC1=NC(N2CCNCCC2)=NC=C1 |
| Synonyms | 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane,
926188-80-9,
AC1Q4F7U,
ZINC36874382,
AKOS002435394,
MCULE-6607844342,
NE56539,
EN300-62535,
Z228587964,
1H-1,4-Diazepine, hexahydro-1-(4-methoxy-2-pyrimidinyl),
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.265g/mol |
| Monoisotopic Mass | 208.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number