5-(5-methoxypyrimidin-2-yl)-1-methylindole

C14H13N3O — CID 137376147

IUPAC5-(5-methoxypyrimidin-2-yl)-1-methylindole
SMILESCOc1cnc(-c2ccc3c(ccn3C)c2)nc1
InChIInChI=1S/C14H13N3O/c1-17-6-5-10-7-11(3-4-13(10)17)14-15-8-12(18-2)9-16-14/h3-9H,1-2H3
InChIKeyIQHWINZMYXDVHL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.64
Rot. Bonds2

About 5-(5-methoxypyrimidin-2-yl)-1-methylindole

5-(5-methoxypyrimidin-2-yl)-1-methylindole (PubChem CID 137376147) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-(5-methoxypyrimidin-2-yl)-1-methylindole.

Molecular Properties

Compound Name5-(5-methoxypyrimidin-2-yl)-1-methylindole
PubChem CID137376147
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-(5-methoxypyrimidin-2-yl)-1-methylindole
SMILESCOc1cnc(-c2ccc3c(ccn3C)c2)nc1
InChIInChI=1S/C14H13N3O/c1-17-6-5-10-7-11(3-4-13(10)17)14-15-8-12(18-2)9-16-14/h3-9H,1-2H3
InChIKeyIQHWINZMYXDVHL-UHFFFAOYSA-N
XLogP2.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxypyrimidin-2-yl)-1-methylindole?
The IUPAC name of 5-(5-methoxypyrimidin-2-yl)-1-methylindole (CID 137376147) is 5-(5-methoxypyrimidin-2-yl)-1-methylindole.
What is the SMILES notation for 5-(5-methoxypyrimidin-2-yl)-1-methylindole?
The canonical SMILES for 5-(5-methoxypyrimidin-2-yl)-1-methylindole is COc1cnc(-c2ccc3c(ccn3C)c2)nc1.
What is the InChIKey of 5-(5-methoxypyrimidin-2-yl)-1-methylindole?
The InChIKey is IQHWINZMYXDVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-6-5-10-7-11(3-4-13(10)17)14-15-8-12(18-2)9-16-14/h3-9H,1-2H3.
What are the key properties of 5-(5-methoxypyrimidin-2-yl)-1-methylindole?
5-(5-methoxypyrimidin-2-yl)-1-methylindole has a molecular weight of 239.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxypyrimidin-2-yl)-1-methylindole is sourced from PubChem (CID 137376147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).