Cas no 60722-69-2 (2-pentylsulfanylpyrimidin-4-amine)
60722-69-2 structure
Product Name:2-pentylsulfanylpyrimidin-4-amine
CAS No:60722-69-2
MF:C9H15N3S
MW:197.300500154495
CID:953409
PubChem ID:308588
Update Time:2025-04-19
2-pentylsulfanylpyrimidin-4-amine Chemical and Physical Properties
Names and Identifiers
-
- 2-pentylsulfanylpyrimidin-4-amine
- 2-pentylsulfanyl-pyrimidin-4-ylamine
- AC1L7D7H
- NSC210411
- 2-(Pentylsulfanyl)pyrimidin-4-amine
- NSC-210411
- CHEMBL3273653
- 60722-69-2
- DTXSID60308933
-
- Inchi： 1S/C9H15N3S/c1-2-3-4-7-13-9-11-6-5-8(10)12-9/h5-6H,2-4,7H2,1H3,(H2,10,11,12)
- InChI Key： YDXNHJSCPMFPQC-UHFFFAOYSA-N
- SMILES： S(C1N=CC=C(N)N=1)CCCCC
Computed Properties
- Exact Mass: 197.09885
- Monoisotopic Mass: 197.09866866g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 132
- 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: 2.5
- Topological Polar Surface Area: 77.1?2
Experimental Properties
- PSA: 51.8
- LogP: 2.92230
2-pentylsulfanylpyrimidin-4-amine Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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