Cas no 52698-67-6 (4-Pyrimidinamine, 2-ethyl-N-methyl- (9CI))
52698-67-6 structure
Product Name:4-Pyrimidinamine, 2-ethyl-N-methyl- (9CI)
CAS No:52698-67-6
MF:C7H11N3
MW:137.182340860367
CID:1021406
PubChem ID:21085466
Update Time:2025-04-20
4-Pyrimidinamine, 2-ethyl-N-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine, 2-ethyl-N-methyl- (9CI)
- DB-325111
- SCHEMBL3350064
- 4-PYRIMIDINAMINE, 2-ETHYL-N-METHYL-
- AKOS011472769
- 2-ethyl-N-methylpyrimidin-4-amine
- 52698-67-6
-
- Inchi： 1S/C7H11N3/c1-3-6-9-5-4-7(8-2)10-6/h4-5H,3H2,1-2H3,(H,8,9,10)
- InChI Key： USNOFKSOYQEXRC-UHFFFAOYSA-N
- SMILES： N1C(=CC=NC=1CC)NC
Computed Properties
- Exact Mass: 137.095297364g/mol
- Monoisotopic Mass: 137.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 94.9
- 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: 1.4
- Topological Polar Surface Area: 37.8?2
4-Pyrimidinamine, 2-ethyl-N-methyl- (9CI) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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