Cas no 168428-15-7 (Methyl 6-amino-1-ethyl-2-oxopyrimidine-5-carboxylate)
168428-15-7 structure
Product Name:Methyl 6-amino-1-ethyl-2-oxopyrimidine-5-carboxylate
CAS No:168428-15-7
MF:C8H11N3O3
MW:197.191241502762
CID:905050
Update Time:2023-08-02
Methyl 6-amino-1-ethyl-2-oxopyrimidine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 6-amino-1-ethyl-2-oxopyrimidine-5-carboxylate
- 5-Pyrimidinecarboxylicacid,6-amino-1-ethyl-1,2-dihydro-2-oxo-,methylester
- Methyl 6-amino-1-ethyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
- 5-pyrimidinecarboxylic acid,6-amino-1-ethyl-1,2-dihydro-2-oxo-,methyl ester
- Methyl 6-amino-1-ethyl-2-oxopyrimidine-5-carboxylate
-
- Inchi： 1S/C8H11N3O3/c1-3-11-6(9)5(7(12)14-2)4-10-8(11)13/h4H,3,9H2,1-2H3
- InChI Key： CMLWGRXCYIQDNP-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=NC(N(C=1N)CC)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 333
- Topological Polar Surface Area: 85
Methyl 6-amino-1-ethyl-2-oxopyrimidine-5-carboxylate Related Literature
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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