Cas no 2386511-90-4 (4-Chloro-2-methoxy-6-methylpyrimidin-5-amine)
2386511-90-4 structure
Product Name:4-Chloro-2-methoxy-6-methylpyrimidin-5-amine
CAS No:2386511-90-4
MF:C6H8ClN3O
MW:173.600219726563
CID:6630752
PubChem ID:131700004
Update Time:2024-01-04
4-Chloro-2-methoxy-6-methylpyrimidin-5-amine Chemical and Physical Properties
Names and Identifiers
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- 4-Chloro-2-methoxy-6-methylpyrimidin-5-amine
- 2386511-90-4
- 5-Pyrimidinamine, 4-chloro-2-methoxy-6-methyl-
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- Inchi： 1S/C6H8ClN3O/c1-3-4(8)5(7)10-6(9-3)11-2/h8H2,1-2H3
- InChI Key： WFNLQBSAGJBWDQ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C)=NC(=N1)OC)N
Computed Properties
- Exact Mass: 173.0355896g/mol
- Monoisotopic Mass: 173.0355896g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 135
- 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: 1.2
- Topological Polar Surface Area: 61?2
Experimental Properties
- Density: 1.331±0.06 g/cm3(Predicted)
- Boiling Point: 318.6±52.0 °C(Predicted)
- pka: 1.79±0.39(Predicted)
4-Chloro-2-methoxy-6-methylpyrimidin-5-amine Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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