2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine

C23H18N6O2 — CID 117084081

IUPAC2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(Oc4ccccc4)cc3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C23H18N6O2/c1-30-19-12-7-15(13-24-19)21-28-22-20(25-14-26-22)23(29-21)27-16-8-10-18(11-9-16)31-17-5-3-2-4-6-17/h2-14H,1H3,(H2,25,26,27,28,29)
InChIKeyWXBRMOZDWSYNGS-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.96
Rot. Bonds6

About 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine

2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine (PubChem CID 117084081) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine
PubChem CID117084081
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(Oc4ccccc4)cc3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C23H18N6O2/c1-30-19-12-7-15(13-24-19)21-28-22-20(25-14-26-22)23(29-21)27-16-8-10-18(11-9-16)31-17-5-3-2-4-6-17/h2-14H,1H3,(H2,25,26,27,28,29)
InChIKeyWXBRMOZDWSYNGS-UHFFFAOYSA-N
XLogP4.96
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
CID 117079759
9-cyclohexyl-2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)purin-6-amine
CID 117093779
2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117086588
2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 117084170
8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
CID 117094362
2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117090011
5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
CID 146597513
N-(1H-benzimidazol-2-ylmethyl)-2-(4-methoxyphenyl)-7H-purin-6-amine
CID 117079410
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine
CID 117091578
6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 117087831
2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 59174493

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine (CID 117084081) is 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine is COc1ccc(-c2nc(Nc3ccc(Oc4ccccc4)cc3)c3[nH]cnc3n2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine?
The InChIKey is WXBRMOZDWSYNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-30-19-12-7-15(13-24-19)21-28-22-20(25-14-26-22)23(29-21)27-16-8-10-18(11-9-16)31-17-5-3-2-4-6-17/h2-14H,1H3,(H2,25,26,27,28,29).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine?
2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine has a molecular weight of 410.44 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine is sourced from PubChem (CID 117084081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).