Cas no 2866333-27-7 (2-Chloro-5-ethoxy-4-pyrimidinamine)
2866333-27-7 structure
Product Name:2-Chloro-5-ethoxy-4-pyrimidinamine
CAS No:2866333-27-7
MF:C6H8ClN3O
MW:173.600219726563
CID:6943734
PubChem ID:166129488
Update Time:2025-05-07
2-Chloro-5-ethoxy-4-pyrimidinamine Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL25323208
- 2866333-27-7
- 2-Chloro-5-ethoxy-4-pyrimidinamine
- DB-377175
-
- Inchi： 1S/C6H8ClN3O/c1-2-11-4-3-9-6(7)10-5(4)8/h3H,2H2,1H3,(H2,8,9,10)
- InChI Key： DBAUUKDUQIEQBW-UHFFFAOYSA-N
- SMILES： ClC1=NC=C(C(N)=N1)OCC
Computed Properties
- Exact Mass: 173.0355896Da
- Monoisotopic Mass: 173.0355896Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 124
- 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
2-Chloro-5-ethoxy-4-pyrimidinamine Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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