1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione

C21H19N3O4 — CID 73291905

IUPAC1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione
SMILESCc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cccn2c1
InChIInChI=1S/C21H19N3O4/c1-15-13-16-17(7-4-9-24(16)14-15)28-19-6-3-2-5-18(19)27-12-11-23-10-8-20(25)22-21(23)26/h2-10,13-14H,11-12H2,1H3,(H,22,25,26)
InChIKeyMQZXZXKIFPOTHZ-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.97
Rot. Bonds6

About 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione

1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione (PubChem CID 73291905) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione
PubChem CID73291905
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione
SMILESCc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cccn2c1
InChIInChI=1S/C21H19N3O4/c1-15-13-16-17(7-4-9-24(16)14-15)28-19-6-3-2-5-18(19)27-12-11-23-10-8-20(25)22-21(23)26/h2-10,13-14H,11-12H2,1H3,(H,22,25,26)
InChIKeyMQZXZXKIFPOTHZ-UHFFFAOYSA-N
XLogP2.97
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione (CID 73291905) is 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione is Cc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cccn2c1.
What is the InChIKey of 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione?
The InChIKey is MQZXZXKIFPOTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-15-13-16-17(7-4-9-24(16)14-15)28-19-6-3-2-5-18(19)27-12-11-23-10-8-20(25)22-21(23)26/h2-10,13-14H,11-12H2,1H3,(H,22,25,26).
What are the key properties of 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione?
1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 377.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 73291905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).