Cas no 85826-34-2 (6-chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4-amine)
85826-34-2 structure
Product Name:6-chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4-amine
CAS No:85826-34-2
MF:C8H10ClN3
MW:183.638100147247
CID:1841430
PubChem ID:913023
Update Time:2025-04-21
6-chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4-amine Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4-amine
- 4-Pyrimidinamine, 6-chloro-2-methyl-5-(2-propen-1-yl)-
- 5-Allyl-6-chloro-2-methylpyrimidin-4-amine
- 6-Chloro-2-methyl-5-(2-propenyl)-4-pyrimidinamine
- DTXSID601006403
- 4-Pyrimidinamine, 6-chloro-2-methyl-5-(2-propenyl)-
- Oprea1_281663
- 85826-34-2
- STK067736
- BRN 4987743
- AKOS022084230
- 6-Chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-imine
-
- Inchi： 1S/C8H10ClN3/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3H,1,4H2,2H3,(H2,10,11,12)
- InChI Key： PMNLBPKZOWXYIE-UHFFFAOYSA-N
- SMILES： ClC1=C(C(N)=NC(C)=N1)CC=C
Computed Properties
- Exact Mass: 183.0563250g/mol
- Monoisotopic Mass: 183.0563250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 162
- 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: 2.3
- Topological Polar Surface Area: 51.8?2
6-chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4-amine Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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