| CAS Number | 949467-71-4 |
| Catalog Number | AG01ENLN(AGN-PC-3H45P5) |
| Chemical Name | hENT4-IN-1 |
| IUPAC Name | 2-[[4,8-bis[bis(2-methylpropyl)amino]-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol |
| InChI | InChI=1S/C26H48N8O2/c1-17(2)13-33(14-18(3)4)23-21-22(30-25(31-23)27-9-11-35)24(32-26(29-21)28-10-12-36)34(15-19(5)6)16-20(7)8/h17-20,35-36H,9-16H2,1-8H3,(H,27,30,31)(H,28,29,32) |
| InChI Key | KIZLZYHFIWWKIL-UHFFFAOYSA-N |
| MDL Number | MFCD30182258 |
| Molecular Formula | C26H48N8O2 |
| Molecular Weight | 504.7117 |
| SMILES | N(C1=NC(NCCO)=NC2C(=NC(NCCO)=NC1=2)N(CC(C)C)CC(C)C)(CC(C)C)CC(C)C |
| Synonyms | 949467-71-4,
2,2'-[[4,8-Bis[bis(2-methylpropyl)amino]pyrimido[5,4-d]pyrimidine-2,6-diyl]diimino]bis-ethanol,
Dipyridamole Analogue, 30,
CHEMBL444103,
BDBM23648,
TC-T 6000,
ZINC28710635,
AKOS027470160,
2-({4,8-bis[bis(2-methylpropyl)amino]-6-[(2-hydroxyethyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl}amino)ethan-1-ol,
KIZLZYHFIWWKIL-UHFFFAOYSA-N,
|
| Complexity | 524 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.390023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 504.7g/mol |
| Monoisotopic Mass | 504.390023g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 123Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number