1-methyl-5-(2-phenoxypyrimidin-5-yl)indole

C19H15N3O — CID 162507455

IUPAC1-methyl-5-(2-phenoxypyrimidin-5-yl)indole
SMILESCn1ccc2cc(-c3cnc(Oc4ccccc4)nc3)ccc21
InChIInChI=1S/C19H15N3O/c1-22-10-9-15-11-14(7-8-18(15)22)16-12-20-19(21-13-16)23-17-5-3-2-4-6-17/h2-13H,1H3
InChIKeyMAIDCKQBHZGNHS-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.43
Rot. Bonds3

About 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole

1-methyl-5-(2-phenoxypyrimidin-5-yl)indole (PubChem CID 162507455) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole.

Molecular Properties

Compound Name1-methyl-5-(2-phenoxypyrimidin-5-yl)indole
PubChem CID162507455
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name1-methyl-5-(2-phenoxypyrimidin-5-yl)indole
SMILESCn1ccc2cc(-c3cnc(Oc4ccccc4)nc3)ccc21
InChIInChI=1S/C19H15N3O/c1-22-10-9-15-11-14(7-8-18(15)22)16-12-20-19(21-13-16)23-17-5-3-2-4-6-17/h2-13H,1H3
InChIKeyMAIDCKQBHZGNHS-UHFFFAOYSA-N
XLogP4.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(1H-pyrazol-4-yl)indole
CID 145005318
7-(1-methylindol-5-yl)-3-phenylpyrido[2,3-b]pyrazine
CID 72544580
5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
CID 146597513
5-(5-methoxypyrimidin-2-yl)-1-methylindole
CID 137376147
5-(2-methyl-4-pyridinyl)-2-phenoxypyrimidine
CID 162507638
1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole
CID 71029156
5-(4-fluorophenyl)-1-methylindole
CID 172686115
1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indole
CID 137376309
5-(1-methylindol-5-yl)-1-phenylpyridin-2-one
CID 58016427
2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
CID 162507482
6-(2-phenoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 162507407
2-methyl-N-[5-(1-methylindol-5-yl)pyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
CID 77301969

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole?
The IUPAC name of 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole (CID 162507455) is 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole.
What is the SMILES notation for 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole?
The canonical SMILES for 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole is Cn1ccc2cc(-c3cnc(Oc4ccccc4)nc3)ccc21.
What is the InChIKey of 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole?
The InChIKey is MAIDCKQBHZGNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-22-10-9-15-11-14(7-8-18(15)22)16-12-20-19(21-13-16)23-17-5-3-2-4-6-17/h2-13H,1H3.
What are the key properties of 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole?
1-methyl-5-(2-phenoxypyrimidin-5-yl)indole has a molecular weight of 301.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-phenoxypyrimidin-5-yl)indole is sourced from PubChem (CID 162507455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).