Cas no 774-75-4 ( )
structure
Product Name:
CAS No:774-75-4
MF:C8H13N3OS
MW:199.273319959641
CID:983500
PubChem ID:222667
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 5-(ethoxymethyl)-2-methylsulfanylpyrimidin-4-amine
- 5-(ethoxymethyl)-2-(methylsulfanyl)pyrimidin-4-amine
- 5-Aethoxymethyl-2-methylmercapto-pyrimidin-4-ylamin
- 5-ethoxymethyl-2-methylsulfanyl-pyrimidin-4-ylamine
- AC1L5BZN
- AG-K-83760
- CTK5E4532
- NSC9311
- NSC-9311
- 774-75-4
- DTXSID80278700
- 5-(Ethoxymethyl)-2-(methylthio)pyrimidin-4-amine
- 5-(ethoxymethyl)-2-methylsulfanyl-pyrimidin-4-amine
- DS-005601
-
-
- Inchi： 1S/C8H13N3OS/c1-3-12-5-6-4-10-8(13-2)11-7(6)9/h4H,3,5H2,1-2H3,(H2,9,10,11)
- InChI Key： JNINOQRPFYXWKZ-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=C(C(N)=N1)COCC
Computed Properties
- Exact Mass: 199.07809
- Monoisotopic Mass: 199.07793322g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 147
- 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: 0.7
- Topological Polar Surface Area: 86.3?2
Experimental Properties
- PSA: 61.03
Related Literature
-
1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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