2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine

C22H17F3N10O2 — CID 123488303

IUPAC2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
SMILESCc1ccc(CNc2ncnc3nc(-c4nc(NCc5ccc(C(F)(F)F)o5)c5[nH]cnc5n4)[nH]c23)o1
InChIInChI=1S/C22H17F3N10O2/c1-10-2-3-11(36-10)6-26-16-15-19(31-9-29-16)35-20(32-15)21-33-17(14-18(34-21)30-8-28-14)27-7-12-4-5-13(37-12)22(23,24)25/h2-5,8-9H,6-7H2,1H3,(H2,26,29,31,32,35)(H2,27,28,30,33,34)
InChIKeyQLXCIEKTRSTTHZ-UHFFFAOYSA-N
MW510.44 g/mol
LogP4.42
Rot. Bonds7

About 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine

2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine (PubChem CID 123488303) has the molecular formula C22H17F3N10O2 and a molecular weight of 510.44 g/mol. Its IUPAC name is 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
PubChem CID123488303
Molecular FormulaC22H17F3N10O2
Molecular Weight510.44 g/mol
Exact Mass510.15
IUPAC Name2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
SMILESCc1ccc(CNc2ncnc3nc(-c4nc(NCc5ccc(C(F)(F)F)o5)c5[nH]cnc5n4)[nH]c23)o1
InChIInChI=1S/C22H17F3N10O2/c1-10-2-3-11(36-10)6-26-16-15-19(31-9-29-16)35-20(32-15)21-33-17(14-18(34-21)30-8-28-14)27-7-12-4-5-13(37-12)22(23,24)25/h2-5,8-9H,6-7H2,1H3,(H2,26,29,31,32,35)(H2,27,28,30,33,34)
InChIKeyQLXCIEKTRSTTHZ-UHFFFAOYSA-N
XLogP4.42
TPSA159.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.44
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine with MolForge

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Related Compounds

Kinetin
CID 3830
Noberastine
CID 60531
N-(furan-2-ylmethyl)-9-methylpurin-6-amine
CID 221107
2-chloro-N-((furan-2-yl)methyl)-7H-purin-6-amine
CID 5037694
2-Furan-2-yl-5-[4-(5-methyl-3H-imidazol-4-ylmethyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11280440
9-Ethyl-8-furyl-adenine
CID 11229946
8-(Furan-2-yl)-3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 44438074
2-[6-(benzylamino)purin-9-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 44601522
8-(Furan-2-yl)-9-propylpurin-6-amine
CID 76331702
5-Butyl-8-furan-2-yl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135512738
Furan-2-ylmethyl-(9-isopropyl-9H-purin-6-yl)-amine
CID 13698516
6-Furfurylamino-9-tetrahydrofuran-2-ylpurine
CID 53237485

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine?
The IUPAC name of 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine (CID 123488303) is 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine is Cc1ccc(CNc2ncnc3nc(-c4nc(NCc5ccc(C(F)(F)F)o5)c5[nH]cnc5n4)[nH]c23)o1.
What is the InChIKey of 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine?
The InChIKey is QLXCIEKTRSTTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N10O2/c1-10-2-3-11(36-10)6-26-16-15-19(31-9-29-16)35-20(32-15)21-33-17(14-18(34-21)30-8-28-14)27-7-12-4-5-13(37-12)22(23,24)25/h2-5,8-9H,6-7H2,1H3,(H2,26,29,31,32,35)(H2,27,28,30,33,34).
What are the key properties of 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine?
2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine has a molecular weight of 510.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 123488303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).