5-(6-methoxypyrimidin-4-yl)-1H-indole

C13H11N3O — CID 56711571

IUPAC5-(6-methoxypyrimidin-4-yl)-1H-indole
SMILESCOc1cc(-c2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C13H11N3O/c1-17-13-7-12(15-8-16-13)9-2-3-11-10(6-9)4-5-14-11/h2-8,14H,1H3
InChIKeyHOHLRCNCGLKWLL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 5-(6-methoxypyrimidin-4-yl)-1H-indole

5-(6-methoxypyrimidin-4-yl)-1H-indole (PubChem CID 56711571) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(6-methoxypyrimidin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-(6-methoxypyrimidin-4-yl)-1H-indole
PubChem CID56711571
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-(6-methoxypyrimidin-4-yl)-1H-indole
SMILESCOc1cc(-c2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C13H11N3O/c1-17-13-7-12(15-8-16-13)9-2-3-11-10(6-9)4-5-14-11/h2-8,14H,1H3
InChIKeyHOHLRCNCGLKWLL-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyrimidin-4-yl)-1H-indole?
The IUPAC name of 5-(6-methoxypyrimidin-4-yl)-1H-indole (CID 56711571) is 5-(6-methoxypyrimidin-4-yl)-1H-indole.
What is the SMILES notation for 5-(6-methoxypyrimidin-4-yl)-1H-indole?
The canonical SMILES for 5-(6-methoxypyrimidin-4-yl)-1H-indole is COc1cc(-c2ccc3[nH]ccc3c2)ncn1.
What is the InChIKey of 5-(6-methoxypyrimidin-4-yl)-1H-indole?
The InChIKey is HOHLRCNCGLKWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-13-7-12(15-8-16-13)9-2-3-11-10(6-9)4-5-14-11/h2-8,14H,1H3.
What are the key properties of 5-(6-methoxypyrimidin-4-yl)-1H-indole?
5-(6-methoxypyrimidin-4-yl)-1H-indole has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxypyrimidin-4-yl)-1H-indole is sourced from PubChem (CID 56711571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).