Cas no 884603-49-0 (2-PYRIMIDINAMINE, 5-ETHYNYL-4-METHYL-)
884603-49-0 structure
Product Name:2-PYRIMIDINAMINE, 5-ETHYNYL-4-METHYL-
CAS No:884603-49-0
MF:C7H7N3
MW:133.150580644608
CID:3275524
PubChem ID:55285084
Update Time:2025-04-21
2-PYRIMIDINAMINE, 5-ETHYNYL-4-METHYL- Chemical and Physical Properties
Names and Identifiers
-
- 2-PYRIMIDINAMINE, 5-ETHYNYL-4-METHYL-
- 5-ethynyl-4-methylpyrimidin-2-amine
- SCHEMBL2976247
- DB-118445
- AKOS006350728
- 884603-49-0
-
- Inchi： 1S/C7H7N3/c1-3-6-4-9-7(8)10-5(6)2/h1,4H,2H3,(H2,8,9,10)
- InChI Key： IUCCPPZRWIVDEB-UHFFFAOYSA-N
- SMILES： N1C(N)=NC=C(C#C)C=1C
Computed Properties
- Exact Mass: 133.063997236Da
- Monoisotopic Mass: 133.063997236Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 157
- 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: 0.5
- Topological Polar Surface Area: 51.8?2
2-PYRIMIDINAMINE, 5-ETHYNYL-4-METHYL- Related Literature
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
884603-49-0 (2-PYRIMIDINAMINE, 5-ETHYNYL-4-METHYL-) Related Products
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