Cas no 651358-63-3 (1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(phenylmethyl)-)
![1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(phenylmethyl)- structure](https://ossimg.kuujia.com/scimg/651500/651358-63-3x500.png)
651358-63-3 structure
Product Name:1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(phenylmethyl)-
CAS No:651358-63-3
MF:C13H11ClN4
MW:258.70624089241
CID:404960
PubChem ID:71376803
Update Time:2025-04-19
1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(phenylmethyl)-
- 6-benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
- 651358-63-3
- 6-Benzyl-4-chloro-1H-pyrrolo[2,3-d]pyrimidin-2-amine
- DTXSID70799474
- SCHEMBL13686468
-
- Inchi： 1S/C13H11ClN4/c14-11-10-7-9(6-8-4-2-1-3-5-8)16-12(10)18-13(15)17-11/h1-5,7H,6H2,(H3,15,16,17,18)
- InChI Key： AQTGZHWGAMBTJC-UHFFFAOYSA-N
- SMILES： ClC1=C2C(=NC(N)=N1)NC(=C2)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 258.06743
- Monoisotopic Mass: 258.0672241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 282
- 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: 3.2
- Topological Polar Surface Area: 67.6?2
Experimental Properties
- PSA: 62.77
1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(phenylmethyl)- Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
651358-63-3 (1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(phenylmethyl)-) Related Products
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