| CAS Number | 63026-85-7 |
| Catalog Number | AG00ESO5(AGN-PC-0NIMJ9) |
| Chemical Name | 2,6-DIAMINO-5-(2,2-DIETHOXYETHYL)PYRIMIDIN-4-OL |
| IUPAC Name | 2,4-diamino-5-(2,2-diethoxyethyl)-1H-pyrimidin-6-one |
| InChI | InChI=1S/C10H18N4O3/c1-3-16-7(17-4-2)5-6-8(11)13-10(12)14-9(6)15/h7H,3-5H2,1-2H3,(H5,11,12,13,14,15) |
| InChI Key | ZXIXLDUPAYIQIL-UHFFFAOYSA-N |
| MDL Number | MFCD00223566 |
| Molecular Formula | C10H18N4O3 |
| Molecular Weight | 242.2749 |
| SMILES | CCOC(Cc1c(N)[nH]c(=N)[nH]c1=O)OCC |
| Synonyms | 63026-85-7,
2,6-DIAMINO-5-(2,2-DIETHOXYETHYL)PYRIMIDIN-4-OL,
SCHEMBL9687495,
DTXSID70491224,
ZXIXLDUPAYIQIL-UHFFFAOYSA-N,
AB3612,
MFCD00223566,
ZINC39208602,
2,6-Diamino-5-(2,2-diethoxyethyl)pyrimidin-4(1H)-one,
2,6-Diamino-3,4-dihydro-4-oxopyrimidine-5-acetaldehyde diethyl acetal,
2-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)acetaldehyde diethyl acetal,
2,6-DIAMINO-5- PYRIMIDIN-4-OL,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.279g/mol |
| Monoisotopic Mass | 242.138g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
Lot Number