4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine

C17H16N6O — CID 46225260

IUPAC4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
SMILESc1cc2ccc(-c3nc(N4CCOCC4)c4[nH]cnc4n3)cc2[nH]1
InChIInChI=1S/C17H16N6O/c1-2-12(9-13-11(1)3-4-18-13)15-21-16-14(19-10-20-16)17(22-15)23-5-7-24-8-6-23/h1-4,9-10,18H,5-8H2,(H,19,20,21,22)
InChIKeyLYJKHCYTQHFQLX-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.34
Rot. Bonds2

About 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine

4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine (PubChem CID 46225260) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
PubChem CID46225260
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
SMILESc1cc2ccc(-c3nc(N4CCOCC4)c4[nH]cnc4n3)cc2[nH]1
InChIInChI=1S/C17H16N6O/c1-2-12(9-13-11(1)3-4-18-13)15-21-16-14(19-10-20-16)17(22-15)23-5-7-24-8-6-23/h1-4,9-10,18H,5-8H2,(H,19,20,21,22)
InChIKeyLYJKHCYTQHFQLX-UHFFFAOYSA-N
XLogP2.34
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-morpholin-4-yl-7H-purin-2-yl)benzonitrile
CID 46225308
2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59593089
4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 87344835
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
CID 45493316
4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
CID 42635323
4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87689923
4-[5-(3H-benzimidazol-5-yl)-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 58507960
2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine
CID 117091578
4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824
4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine
CID 58137143

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine?
The IUPAC name of 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine (CID 46225260) is 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine is c1cc2ccc(-c3nc(N4CCOCC4)c4[nH]cnc4n3)cc2[nH]1.
What is the InChIKey of 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine?
The InChIKey is LYJKHCYTQHFQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-2-12(9-13-11(1)3-4-18-13)15-21-16-14(19-10-20-16)17(22-15)23-5-7-24-8-6-23/h1-4,9-10,18H,5-8H2,(H,19,20,21,22).
What are the key properties of 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine?
4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine has a molecular weight of 320.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine is sourced from PubChem (CID 46225260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).