3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine

C18H14Cl2N6O — CID 138740748

IUPAC3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3cnccc3OC)[nH]c12
InChIInChI=1S/C18H14Cl2N6O/c1-27-14-5-6-22-7-10(14)17-24-15-16(21)23-9-26(18(15)25-17)8-11-12(19)3-2-4-13(11)20/h2-7,9,21H,8H2,1H3,(H,24,25)/b21-16-
InChIKeyLMUXBHQJTVOOHG-PGMHBOJBSA-N
MW401.26 g/mol
LogP3.66
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine

3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine (PubChem CID 138740748) has the molecular formula C18H14Cl2N6O and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine
PubChem CID138740748
Molecular FormulaC18H14Cl2N6O
Molecular Weight401.26 g/mol
Exact Mass400.06
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3cnccc3OC)[nH]c12
InChIInChI=1S/C18H14Cl2N6O/c1-27-14-5-6-22-7-10(14)17-24-15-16(21)23-9-26(18(15)25-17)8-11-12(19)3-2-4-13(11)20/h2-7,9,21H,8H2,1H3,(H,24,25)/b21-16-
InChIKeyLMUXBHQJTVOOHG-PGMHBOJBSA-N
XLogP3.66
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine with MolForge

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-8-(6-methoxy-3-pyridinyl)-7H-purin-6-imine
CID 155229618
3-[(2,6-dichlorophenyl)methyl]-8-methyl-7H-purin-6-imine
CID 138740655
8-bromo-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740716
8-(1H-benzimidazol-2-yl)-3-[(3,5-dichloro-4-pyridinyl)methyl]-7H-purin-6-imine
CID 155461590
8-(1,3-benzothiazol-5-yl)-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740709
3-[(4-iodo-2-methoxy-3-pyridinyl)methyl]-8-(2-methylphenyl)-7H-purin-6-imine
CID 155461586
3-[(2,6-dichlorophenyl)methyl]-8-piperidin-4-yl-7H-purin-6-imine
CID 138740694
3-[(2,6-dichlorophenyl)methyl]-8-[(E)-2-(4-fluorophenyl)ethenyl]-7H-purin-6-imine
CID 139308665
3-[(4-bromo-2-chloro-3-pyridinyl)methyl]-8-phenyl-7H-purin-6-imine
CID 155461531
4-[2-[8-(2,5-dimethoxyphenyl)-6-imino-7H-purin-3-yl]ethyl]-N,N-dimethylaniline
CID 175263524
3-[(3,5-dichloro-4-pyridinyl)methyl]-8-[(3R)-3-methylpiperidin-4-yl]-7H-purin-6-imine
CID 155461576
8-bromo-3-[(4-fluorophenyl)methyl]-7H-purin-6-imine
CID 137076992

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine (CID 138740748) is 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine is [H]/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3cnccc3OC)[nH]c12.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine?
The InChIKey is LMUXBHQJTVOOHG-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H14Cl2N6O/c1-27-14-5-6-22-7-10(14)17-24-15-16(21)23-9-26(18(15)25-17)8-11-12(19)3-2-4-13(11)20/h2-7,9,21H,8H2,1H3,(H,24,25)/b21-16-.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine?
3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine has a molecular weight of 401.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-8-(4-methoxy-3-pyridinyl)-7H-purin-6-imine is sourced from PubChem (CID 138740748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).