Cas no 192587-17-0 (2,4-Pteridinediamine,6-(4-methylphenyl)-)
192587-17-0 structure
Product Name:2,4-Pteridinediamine,6-(4-methylphenyl)-
CAS No:192587-17-0
MF:C13H13ClN6
MW:288.735520124435
CID:116197
PubChem ID:53485208
Update Time:2025-04-18
2,4-Pteridinediamine,6-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pteridinediamine,6-(4-methylphenyl)-
- 6-(4-methylphenyl)pteridine-2,4-diamine,hydrochloride
- 2,4-Diamino-6-(p-tolyl)pteridine hydrochloride
- 2,4-Diamino-6-(p-tolyl)pteridine hdrochloride
- DTXSID20704417
- 192587-17-0
- 6-(4-methylphenyl)pteridine-2,4-diamine;hydrochloride
- FT-0720459
- 6-(4-Methylphenyl)pteridine-2,4-diamine--hydrogen chloride (1/1)
-
- Inchi： 1S/C13H12N6.ClH/c1-7-2-4-8(5-3-7)9-6-16-12-10(17-9)11(14)18-13(15)19-12;/h2-6H,1H3,(H4,14,15,16,18,19);1H
- InChI Key： XOMAWWCHBJQQEY-UHFFFAOYSA-N
- SMILES： Cl.N1C2C(N)=NC(N)=NC=2N=CC=1C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 288.08900
- Monoisotopic Mass: 288.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 304
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 104A^2
Experimental Properties
- PSA: 103.60000
- LogP: 3.52400
2,4-Pteridinediamine,6-(4-methylphenyl)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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