Cas no 651358-67-7 (1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(1-naphthalenylmethyl)-)
![1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(1-naphthalenylmethyl)- structure](https://ossimg.kuujia.com/scimg/651500/651358-67-7x500.png)
651358-67-7 structure
Product Name:1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(1-naphthalenylmethyl)-
CAS No:651358-67-7
MF:C17H13ClN4
MW:308.76492190361
CID:404958
PubChem ID:71376802
Update Time:2025-04-19
1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(1-naphthalenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(1-naphthalenylmethyl)-
- 4-chloro-6-(naphthalen-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
- 4-Chloro-6-[(naphthalen-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
- DTXSID10799473
- 651358-67-7
-
- Inchi： 1S/C17H13ClN4/c18-15-14-9-12(20-16(14)22-17(19)21-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9H,8H2,(H3,19,20,21,22)
- InChI Key： MSZMUGNLUWQQMO-UHFFFAOYSA-N
- SMILES： ClC1=C2C(=NC(N)=N1)NC(=C2)CC1=CC=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 308.08309
- Monoisotopic Mass: 308.0828741g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 393
- 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: 4.5
- Topological Polar Surface Area: 67.6?2
Experimental Properties
- PSA: 62.77
1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-6-(1-naphthalenylmethyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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