3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine

C18H14Cl2N6 — CID 138740842

IUPAC3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine
SMILESClc1cccc(Cl)c1Cn1cn/c(=N\Cc2ccccn2)c2[nH]cnc21
InChIInChI=1S/C18H14Cl2N6/c19-14-5-3-6-15(20)13(14)9-26-11-25-17(16-18(26)24-10-23-16)22-8-12-4-1-2-7-21-12/h1-7,10-11H,8-9H2,(H,23,24)/b22-17-
InChIKeyQTUKDFPRGDISBY-XLNRJJMWSA-N
MW385.26 g/mol
LogP3.61
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine

3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine (PubChem CID 138740842) has the molecular formula C18H14Cl2N6 and a molecular weight of 385.26 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine
PubChem CID138740842
Molecular FormulaC18H14Cl2N6
Molecular Weight385.26 g/mol
Exact Mass384.07
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine
SMILESClc1cccc(Cl)c1Cn1cn/c(=N\Cc2ccccn2)c2[nH]cnc21
InChIInChI=1S/C18H14Cl2N6/c19-14-5-3-6-15(20)13(14)9-26-11-25-17(16-18(26)24-10-23-16)22-8-12-4-1-2-7-21-12/h1-7,10-11H,8-9H2,(H,23,24)/b22-17-
InChIKeyQTUKDFPRGDISBY-XLNRJJMWSA-N
XLogP3.61
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine
CID 138740815
N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740717
N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide
CID 139308583
4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 159438699
8-bromo-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740716
3-[(2,6-dichlorophenyl)methyl]-8-methyl-7H-purin-6-imine
CID 138740655
4-chloro-1-(pyridin-2-ylmethyl)indole
CID 116623601
phenyl(pyridin-2-ylmethyl)diazene
CID 54008576
3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)-7H-purine-2,6-dione
CID 175928852
3-[(2-methylphenyl)methyl]-7H-purin-6-imine
CID 135435061
3-chloro-2-(pyridin-2-ylmethylsulfanyl)aniline
CID 43304905
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine (CID 138740842) is 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine is Clc1cccc(Cl)c1Cn1cn/c(=N\Cc2ccccn2)c2[nH]cnc21.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine?
The InChIKey is QTUKDFPRGDISBY-XLNRJJMWSA-N. The full InChI is InChI=1S/C18H14Cl2N6/c19-14-5-3-6-15(20)13(14)9-26-11-25-17(16-18(26)24-10-23-16)22-8-12-4-1-2-7-21-12/h1-7,10-11H,8-9H2,(H,23,24)/b22-17-.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine?
3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine has a molecular weight of 385.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine is sourced from PubChem (CID 138740842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).