Cas no 27653-49-2 (2,4-Pyrimidinediamine,6-ethyl-5-phenyl-)
27653-49-2 structure
Product Name:2,4-Pyrimidinediamine,6-ethyl-5-phenyl-
CAS No:27653-49-2
MF:C12H14N4
MW:214.266361713409
CID:261760
PubChem ID:93114
Update Time:2025-04-19
2,4-Pyrimidinediamine,6-ethyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine,6-ethyl-5-phenyl-
- 6-ethyl-5-phenylpyrimidine-2,4-diamine
- TCMDC-124296
- XREDUPOVEQDQQS-UHFFFAOYSA-N
- PD005058
- 2,4-Diamino-6-ethyl-5-phenylpyrimidine
- 6-Ethyl-5-phenyl-2,4-pyrimidinediamine #
- CHEMBL22148
- BRN 0190097
- Q27096794
- DTXSID70182029
- Pyrimidine, 2,4-diamino-6-ethyl-5-phenyl-
- KMJ59LN22F
- BDBM18788
- GNF-PF-26
- NS00070831
- 2,4-Diamino-5-phenyl-6-ethylpyrimidine
- DB07577
- CP7
- Oprea1_813184
- UNII-KMJ59LN22F
- 5-Phenyl-6-ethyl-2,4-diaminopyrimidine
- SCHEMBL3498787
- 27653-49-2
- Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
-
- Inchi： 1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)
- InChI Key： XREDUPOVEQDQQS-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(=C(C2C=CC=CC=2)C=1CC)N
Computed Properties
- Exact Mass: 214.12202
- 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: 2
- Complexity: 215
- 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: 2.1
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- Density: 1.1726 (rough estimate)
- Boiling Point: 344.41°C (rough estimate)
- Flash Point: 268.7°C
- Refractive Index: 1.5000 (estimate)
- PSA: 77.82
2,4-Pyrimidinediamine,6-ethyl-5-phenyl- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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