Cas no 335084-02-1 (Pyrimidine, 5-(1-propynyl)- (9ci))
335084-02-1 structure
Product Name:Pyrimidine, 5-(1-propynyl)- (9ci)
CAS No:335084-02-1
MF:C7H6N2
MW:118.135941028595
CID:2195641
PubChem ID:22058964
Update Time:2025-04-21
Pyrimidine, 5-(1-propynyl)- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 5-(1-propynyl)- (9ci)
- HS-3707
- 335084-02-1
- 5-(1-Propyn-1-yl)pyrimidine
- 5-propynylpyrimidine
- 5-(PROP-1-YN-1-YL)PYRIMIDINE
- SCHEMBL11384
-
- Inchi： 1S/C7H6N2/c1-2-3-7-4-8-6-9-5-7/h4-6H,1H3
- InChI Key： LMEHJKJEPRYEEB-UHFFFAOYSA-N
- SMILES： N1C=NC=C(C#CC)C=1
Computed Properties
- Exact Mass: 118.053098200Da
- Monoisotopic Mass: 118.053098200Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 133
- 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: 1
- Topological Polar Surface Area: 25.8?2
Pyrimidine, 5-(1-propynyl)- (9ci) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
335084-02-1 (Pyrimidine, 5-(1-propynyl)- (9ci)) Related Products
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