2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone

C19H28N4O2 — CID 53185857

IUPAC2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C19H28N4O2/c24-19(11-15-5-1-2-6-15)23-10-7-16(13-23)25-18-12-17(20-14-21-18)22-8-3-4-9-22/h12,14-16H,1-11,13H2
InChIKeyGEZYSBDQJBBJLU-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.64
Rot. Bonds5

About 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 53185857) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID53185857
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C19H28N4O2/c24-19(11-15-5-1-2-6-15)23-10-7-16(13-23)25-18-12-17(20-14-21-18)22-8-3-4-9-22/h12,14-16H,1-11,13H2
InChIKeyGEZYSBDQJBBJLU-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone (CID 53185857) is 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(Oc2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is GEZYSBDQJBBJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-19(11-15-5-1-2-6-15)23-10-7-16(13-23)25-18-12-17(20-14-21-18)22-8-3-4-9-22/h12,14-16H,1-11,13H2.
What are the key properties of 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 344.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 53185857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).