4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine

C17H15N3O2 — CID 118729849

IUPAC4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine
SMILESCOc1ccc2c(ccn2-c2nc(C)nc3oc(C)cc23)c1
InChIInChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20-7-6-12-9-13(21-3)4-5-15(12)20/h4-9H,1-3H3
InChIKeyUDKMOAHOTPOVJU-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.79
Rot. Bonds2

About 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine

4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine (PubChem CID 118729849) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine
PubChem CID118729849
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine
SMILESCOc1ccc2c(ccn2-c2nc(C)nc3oc(C)cc23)c1
InChIInChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20-7-6-12-9-13(21-3)4-5-15(12)20/h4-9H,1-3H3
InChIKeyUDKMOAHOTPOVJU-UHFFFAOYSA-N
XLogP3.79
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine?
The IUPAC name of 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine (CID 118729849) is 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine?
The canonical SMILES for 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine is COc1ccc2c(ccn2-c2nc(C)nc3oc(C)cc23)c1.
What is the InChIKey of 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine?
The InChIKey is UDKMOAHOTPOVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20-7-6-12-9-13(21-3)4-5-15(12)20/h4-9H,1-3H3.
What are the key properties of 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine?
4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine has a molecular weight of 293.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxyindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 118729849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).