Cas no 111697-11-1 (2-Pyrimidinamine,N,N-dibutyl-4-chloro-6-methyl-)
111697-11-1 structure
Product Name:2-Pyrimidinamine,N,N-dibutyl-4-chloro-6-methyl-
CAS No:111697-11-1
MF:C13H22ClN3
MW:255.786881923676
CID:129366
PubChem ID:13789827
Update Time:2025-04-18
2-Pyrimidinamine,N,N-dibutyl-4-chloro-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine,N,N-dibutyl-4-chloro-6-methyl-
- 2-DIBUTYLAMINO-4-CHLORO-6-METHYLPYRIMIDINE
- N,N-dibutyl-4-chloro-6-methylpyrimidin-2-amine
- 111697-11-1
- DTXSID00549500
-
- Inchi： 1S/C13H22ClN3/c1-4-6-8-17(9-7-5-2)13-15-11(3)10-12(14)16-13/h10H,4-9H2,1-3H3
- InChI Key： WXUTUXQIZCCXMK-UHFFFAOYSA-N
- SMILES： ClC1C=C(C)N=C(N=1)N(CCCC)CCCC
Computed Properties
- Exact Mass: 255.15046
- Monoisotopic Mass: 255.1502254g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 193
- 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: 4.5
- Topological Polar Surface Area: 29?2
Experimental Properties
- PSA: 29.02
- LogP: 3.84500
2-Pyrimidinamine,N,N-dibutyl-4-chloro-6-methyl- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
111697-11-1 (2-Pyrimidinamine,N,N-dibutyl-4-chloro-6-methyl-) Related Products
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