| CAS Number | 915882-06-3 |
| Catalog Number | AG00GTSO(AGN-PC-0WB4WT) |
| Chemical Name | (3-Aminopropyl)(6-methyl-2-propyl-4-pyrimidinyl)amine |
| IUPAC Name | N'-(6-methyl-2-propylpyrimidin-4-yl)propane-1,3-diamine |
| InChI | InChI=1S/C11H20N4/c1-3-5-10-14-9(2)8-11(15-10)13-7-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14,15) |
| InChI Key | XMVFPODZSQSFQQ-UHFFFAOYSA-N |
| MDL Number | MFCD08691838 |
| Molecular Formula | C11H20N4 |
| Molecular Weight | 208.3033 |
| SMILES | N1=C(CCC)N=C(C=C1NCCCN)C |
| Synonyms | 915882-06-3,
(3-AMINOPROPYL)(6-METHYL-2-PROPYL-4-PYRIMIDINYL)AMINE,
CHEMBRDG-BB 9019247,
N1-(6-Methyl-2-propylpyrimidin-4-yl)propane-1,3-diamine,
CTK5G9856,
DTXSID70650556,
ZX-CM017687,
MFCD08691838,
ZINC16489895,
AKOS006342342,
MCULE-7189186133,
Y-4480,
N-(3-aminopropyl)-6-methyl-2-propylpyrimidin-4-amine,
N~1~-(6-Methyl-2-propylpyrimidin-4-yl)propane-1,3-diamine,
CHEMBRDG-BB9019247,
N'-(6-methyl-2-propylpyrimidin-4-yl)propane-1,3-diamine,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.309g/mol |
| Monoisotopic Mass | 208.169g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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