8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine

C75H61Cl3N26O5 — CID 158373389

IUPAC8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine
SMILESCc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.Clc1nc(NCc2ccco2)c2[nH]c(-c3cccnc3)nc2n1.Clc1nc(NCc2ccco2)c2c(-c3ccncc3)c[nH]c2n1.c1ccc(-c2nc3ncnc(NCc4ccco4)c3[nH]2)cc1.c1ccc(Cc2nc3ncnc(NCc4ccco4)c3[nH]2)cc1
InChIInChI=1S/C17H15N5O.C16H12ClN5O.C16H13N5O.C15H11ClN6O.C11H10ClN5O/c1-2-5-12(6-3-1)9-14-21-15-16(19-11-20-17(15)22-14)18-10-13-7-4-8-23-13;17-16-21-14(19-8-11-2-1-7-23-11)13-12(9-20-15(13)22-16)10-3-5-18-6-4-10;1-2-5-11(6-3-1)14-20-13-15(18-10-19-16(13)21-14)17-9-12-7-4-8-22-12;16-15-21-13(18-8-10-4-2-6-23-10)11-14(22-15)20-12(19-11)9-3-1-5-17-7-9;1-6-14-8-9(13-5-7-3-2-4-18-7)16-11(12)17-10(8)15-6/h1-8,11H,9-10H2,(H2,18,19,20,21,22);1-7,9H,8H2,(H2,19,20,21,22);1-8,10H,9H2,(H2,17,18,19,20,21);1-7H,8H2,(H2,18,19,20,21,22);2-4H,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyGUWXZAYEVGCXKC-UHFFFAOYSA-N
MW1512.85 g/mol
LogP16.05
Rot. Bonds20

About 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine

8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine (PubChem CID 158373389) has the molecular formula C75H61Cl3N26O5 and a molecular weight of 1512.85 g/mol. Its IUPAC name is 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine.

Molecular Properties

Compound Name8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine
PubChem CID158373389
Molecular FormulaC75H61Cl3N26O5
Molecular Weight1512.85 g/mol
Exact Mass1510.44
IUPAC Name8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine
SMILESCc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.Clc1nc(NCc2ccco2)c2[nH]c(-c3cccnc3)nc2n1.Clc1nc(NCc2ccco2)c2c(-c3ccncc3)c[nH]c2n1.c1ccc(-c2nc3ncnc(NCc4ccco4)c3[nH]2)cc1.c1ccc(Cc2nc3ncnc(NCc4ccco4)c3[nH]2)cc1
InChIInChI=1S/C17H15N5O.C16H12ClN5O.C16H13N5O.C15H11ClN6O.C11H10ClN5O/c1-2-5-12(6-3-1)9-14-21-15-16(19-11-20-17(15)22-14)18-10-13-7-4-8-23-13;17-16-21-14(19-8-11-2-1-7-23-11)13-12(9-20-15(13)22-16)10-3-5-18-6-4-10;1-2-5-11(6-3-1)14-20-13-15(18-10-19-16(13)21-14)17-9-12-7-4-8-22-12;16-15-21-13(18-8-10-4-2-6-23-10)11-14(22-15)20-12(19-11)9-3-1-5-17-7-9;1-6-14-8-9(13-5-7-3-2-4-18-7)16-11(12)17-10(8)15-6/h1-8,11H,9-10H2,(H2,18,19,20,21,22);1-7,9H,8H2,(H2,19,20,21,22);1-8,10H,9H2,(H2,17,18,19,20,21);1-7H,8H2,(H2,18,19,20,21,22);2-4H,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyGUWXZAYEVGCXKC-UHFFFAOYSA-N
XLogP16.05
TPSA411.04 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001512.85
LogP ≤ 516.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine?
The IUPAC name of 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine (CID 158373389) is 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine.
What is the SMILES notation for 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine?
The canonical SMILES for 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine is Cc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.Clc1nc(NCc2ccco2)c2[nH]c(-c3cccnc3)nc2n1.Clc1nc(NCc2ccco2)c2c(-c3ccncc3)c[nH]c2n1.c1ccc(-c2nc3ncnc(NCc4ccco4)c3[nH]2)cc1.c1ccc(Cc2nc3ncnc(NCc4ccco4)c3[nH]2)cc1.
What is the InChIKey of 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine?
The InChIKey is GUWXZAYEVGCXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.C16H12ClN5O.C16H13N5O.C15H11ClN6O.C11H10ClN5O/c1-2-5-12(6-3-1)9-14-21-15-16(19-11-20-17(15)22-14)18-10-13-7-4-8-23-13;17-16-21-14(19-8-11-2-1-7-23-11)13-12(9-20-15(13)22-16)10-3-5-18-6-4-10;1-2-5-11(6-3-1)14-20-13-15(18-10-19-16(13)21-14)17-9-12-7-4-8-22-12;16-15-21-13(18-8-10-4-2-6-23-10)11-14(22-15)20-12(19-11)9-3-1-5-17-7-9;1-6-14-8-9(13-5-7-3-2-4-18-7)16-11(12)17-10(8)15-6/h1-8,11H,9-10H2,(H2,18,19,20,21,22);1-7,9H,8H2,(H2,19,20,21,22);1-8,10H,9H2,(H2,17,18,19,20,21);1-7H,8H2,(H2,18,19,20,21,22);2-4H,5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine?
8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine has a molecular weight of 1512.85 g/mol, XLogP of 16.05, 20 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-pyridin-3-yl-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-8-phenyl-7H-purin-6-amine is sourced from PubChem (CID 158373389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).