9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine

C17H13Cl2N5O — CID 2336625

IUPAC9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine
SMILESClc1cccc(Cl)c1Cn1cnc2c(NCc3ccco3)ncnc21
InChIInChI=1S/C17H13Cl2N5O/c18-13-4-1-5-14(19)12(13)8-24-10-23-15-16(21-9-22-17(15)24)20-7-11-3-2-6-25-11/h1-6,9-10H,7-8H2,(H,20,21,22)
InChIKeyFDNHMTIQGYMJFS-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.39
Rot. Bonds5

About 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine

9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine (PubChem CID 2336625) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine
PubChem CID2336625
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC Name9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine
SMILESClc1cccc(Cl)c1Cn1cnc2c(NCc3ccco3)ncnc21
InChIInChI=1S/C17H13Cl2N5O/c18-13-4-1-5-14(19)12(13)8-24-10-23-15-16(21-9-22-17(15)24)20-7-11-3-2-6-25-11/h1-6,9-10H,7-8H2,(H,20,21,22)
InChIKeyFDNHMTIQGYMJFS-UHFFFAOYSA-N
XLogP4.39
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Kinetin
CID 3830
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10270416
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900104
N-(furan-2-ylmethyl)-9-methylpurin-6-amine
CID 221107
7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione
CID 1081556
2-chloro-N-((furan-2-yl)methyl)-7H-purin-6-amine
CID 5037694
7-(2-chlorobenzyl)-8-[(2-furylmethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 660575
6-Furan-2-yl-9-(3-phenyl-propyl)-9H-purin-2-ylamine
CID 9858219
9-[(3-Chlorophenyl)methyl]-6-(furan-2-yl)purin-2-amine
CID 9880379
N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride
CID 19392231

Frequently Asked Questions

What is the IUPAC name of 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine?
The IUPAC name of 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine (CID 2336625) is 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine.
What is the SMILES notation for 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine?
The canonical SMILES for 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine is Clc1cccc(Cl)c1Cn1cnc2c(NCc3ccco3)ncnc21.
What is the InChIKey of 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine?
The InChIKey is FDNHMTIQGYMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c18-13-4-1-5-14(19)12(13)8-24-10-23-15-16(21-9-22-17(15)24)20-7-11-3-2-6-25-11/h1-6,9-10H,7-8H2,(H,20,21,22).
What are the key properties of 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine?
9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine has a molecular weight of 374.23 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,6-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)purin-6-amine is sourced from PubChem (CID 2336625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).