2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine

C22H22ClN5O2 — CID 56930431

IUPAC2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine
SMILESCOc1ccc(Cn2cnc3c(Nc4c(C)cc(OC)cc4C)nc(Cl)nc32)cc1
InChIInChI=1S/C22H22ClN5O2/c1-13-9-17(30-4)10-14(2)18(13)25-20-19-21(27-22(23)26-20)28(12-24-19)11-15-5-7-16(29-3)8-6-15/h5-10,12H,11H2,1-4H3,(H,25,26,27)
InChIKeyWUTQXUZCXXRHEH-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.91
Rot. Bonds6

About 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine

2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine (PubChem CID 56930431) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine
PubChem CID56930431
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine
SMILESCOc1ccc(Cn2cnc3c(Nc4c(C)cc(OC)cc4C)nc(Cl)nc32)cc1
InChIInChI=1S/C22H22ClN5O2/c1-13-9-17(30-4)10-14(2)18(13)25-20-19-21(27-22(23)26-20)28(12-24-19)11-15-5-7-16(29-3)8-6-15/h5-10,12H,11H2,1-4H3,(H,25,26,27)
InChIKeyWUTQXUZCXXRHEH-UHFFFAOYSA-N
XLogP4.91
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine with MolForge

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Related Compounds

N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
2,6-dichloro-9-[(4-methoxy-3-methylphenyl)methyl]purine
CID 11151441
4-[[2-chloro-6-[(4-methoxyphenyl)methylamino]purin-9-yl]methyl]benzamide
CID 121390711
(E)-3-[4-[[2-(4-ethynylanilino)-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3,5-dimethylphenyl]prop-2-enenitrile
CID 88902432
9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
CID 71171876
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
9-benzyl-2-chloro-N-(3-propan-2-yloxyphenyl)purin-6-amine
CID 5271944
2-chloro-9-[(4-chloro-3-fluorophenyl)methyl]-N-methylpurin-6-amine
CID 171621164
2,6-dichloro-9-[(4-methoxyphenyl)methyl]purine;2,6-dichloro-7H-purine
CID 158330316
2-chloro-9-[(3-methoxyphenyl)methyl]-N,N-dimethylpurin-6-amine
CID 3010194
7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine
CID 53243110
2-dimethylphosphoryl-N,9-bis[(4-methoxyphenyl)methyl]purin-6-amine
CID 170722633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine?
The IUPAC name of 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine (CID 56930431) is 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine.
What is the SMILES notation for 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine?
The canonical SMILES for 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine is COc1ccc(Cn2cnc3c(Nc4c(C)cc(OC)cc4C)nc(Cl)nc32)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine?
The InChIKey is WUTQXUZCXXRHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-13-9-17(30-4)10-14(2)18(13)25-20-19-21(27-22(23)26-20)28(12-24-19)11-15-5-7-16(29-3)8-6-15/h5-10,12H,11H2,1-4H3,(H,25,26,27).
What are the key properties of 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine?
2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine has a molecular weight of 423.90 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine is sourced from PubChem (CID 56930431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).