Cas no 2257-72-9 ( )
structure
Product Name:
CAS No:2257-72-9
MF:C21H22ClN3
MW:351.872483730316
CID:912405
PubChem ID:309632
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-benzyl-6-chloro-5-(4-phenylbutyl)pyrimidin-2-amine
- 2-Amino-6-benzyl-4-chlor-5-< 4-phenyl-butyl> -pyrimidin
- 4-benzyl-6-chloro-5-(4-phenyl-butyl)-pyrimidin-2-ylamine
- AC1L7FHD
- NSC211950
- NSC-211950
- 2257-72-9
- DTXSID30309432
-
-
- Inchi： 1S/C21H22ClN3/c22-20-18(14-8-7-11-16-9-3-1-4-10-16)19(24-21(23)25-20)15-17-12-5-2-6-13-17/h1-6,9-10,12-13H,7-8,11,14-15H2,(H2,23,24,25)
- InChI Key： DJMHXTOGLXPISR-UHFFFAOYSA-N
- SMILES： ClC1=C(C(CC2C=CC=CC=2)=NC(N)=N1)CCCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 351.15046
- Monoisotopic Mass: 351.1502254g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 366
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.1
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 51.8
- LogP: 5.44960
Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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