Cas no 7597-49-1 (2,4-Pyrimidinediamine,6-(2-phenylethyl)-)
7597-49-1 structure
Product Name:2,4-Pyrimidinediamine,6-(2-phenylethyl)-
CAS No:7597-49-1
MF:C12H14N4
MW:214.266361713409
CID:568571
PubChem ID:245186
Update Time:2025-04-19
2,4-Pyrimidinediamine,6-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine,6-(2-phenylethyl)-
- 6-(2-phenylethyl)pyrimidine-2,4-diamine
- 6-phenethylpyrimidine-2,4-diamine
- 2,4-Diamino-6-phenaethyl-pyrimidin
- 6-phenethyl-pyrimidine-2,4-diamine
- DTXSID20288606
- 7597-49-1
- NSC-56883
- NSC56883
-
- Inchi： 1S/C12H14N4/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,13,14,15,16)
- InChI Key： CTVSGRMFPIQXSS-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(=CC=1CCC1C=CC=CC=1)N
Computed Properties
- Exact Mass: 214.12200
- Monoisotopic Mass: 214.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 203
- 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: 1.8
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.82000
- LogP: 2.58860
2,4-Pyrimidinediamine,6-(2-phenylethyl)- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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