7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid

C18H20N4O3 — CID 22025260

IUPAC7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
SMILESCN(C)CCc1nccc(Oc2cccc3cc(C(=O)O)n(C)c23)n1
InChIInChI=1S/C18H20N4O3/c1-21(2)10-8-15-19-9-7-16(20-15)25-14-6-4-5-12-11-13(18(23)24)22(3)17(12)14/h4-7,9,11H,8,10H2,1-3H3,(H,23,24)
InChIKeyZUHNZQJDNWKCPL-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.56
Rot. Bonds6

About 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid

7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid (PubChem CID 22025260) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
PubChem CID22025260
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
SMILESCN(C)CCc1nccc(Oc2cccc3cc(C(=O)O)n(C)c23)n1
InChIInChI=1S/C18H20N4O3/c1-21(2)10-8-15-19-9-7-16(20-15)25-14-6-4-5-12-11-13(18(23)24)22(3)17(12)14/h4-7,9,11H,8,10H2,1-3H3,(H,23,24)
InChIKeyZUHNZQJDNWKCPL-UHFFFAOYSA-N
XLogP2.56
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid?
The IUPAC name of 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid (CID 22025260) is 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid?
The canonical SMILES for 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid is CN(C)CCc1nccc(Oc2cccc3cc(C(=O)O)n(C)c23)n1.
What is the InChIKey of 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid?
The InChIKey is ZUHNZQJDNWKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21(2)10-8-15-19-9-7-16(20-15)25-14-6-4-5-12-11-13(18(23)24)22(3)17(12)14/h4-7,9,11H,8,10H2,1-3H3,(H,23,24).
What are the key properties of 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid?
7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 22025260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).