Cas no 1454-52-0 (1H-Purin-6-amine, 8-methyl-N-(phenylmethyl)-)
1454-52-0 structure
Product Name:1H-Purin-6-amine, 8-methyl-N-(phenylmethyl)-
CAS No:1454-52-0
MF:C13H13N5
MW:239.275821447372
CID:95781
PubChem ID:54261645
Update Time:2025-04-18
1H-Purin-6-amine, 8-methyl-N-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purin-6-amine, 8-methyl-N-(phenylmethyl)-
- N-benzyl-8-methyl-7H-purin-6-amine
- 1454-52-0
- DTXSID90710126
- SCHEMBL8009111
-
- Inchi： 1S/C13H13N5/c1-9-17-11-12(15-8-16-13(11)18-9)14-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,14,15,16,17,18)
- InChI Key： RDYAQFHXLOOQKE-UHFFFAOYSA-N
- SMILES： N(CC1C=CC=CC=1)C1=C2C(=NC=N1)N=C(C)N2
Computed Properties
- Exact Mass: 239.11709544g/mol
- Monoisotopic Mass: 239.11709544g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 266
- 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: 3.2
- Topological Polar Surface Area: 66.5?2
1H-Purin-6-amine, 8-methyl-N-(phenylmethyl)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
1454-52-0 (1H-Purin-6-amine, 8-methyl-N-(phenylmethyl)-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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