2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone

C17H26N4O2 — CID 53185832

IUPAC2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone
SMILESCN(C)c1cc(OC2CCN(C(=O)CC3CCCC3)C2)ncn1
InChIInChI=1S/C17H26N4O2/c1-20(2)15-10-16(19-12-18-15)23-14-7-8-21(11-14)17(22)9-13-5-3-4-6-13/h10,12-14H,3-9,11H2,1-2H3
InChIKeyUZIWLGHLJUGVMI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.10
Rot. Bonds5

About 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone (PubChem CID 53185832) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone
PubChem CID53185832
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone
SMILESCN(C)c1cc(OC2CCN(C(=O)CC3CCCC3)C2)ncn1
InChIInChI=1S/C17H26N4O2/c1-20(2)15-10-16(19-12-18-15)23-14-7-8-21(11-14)17(22)9-13-5-3-4-6-13/h10,12-14H,3-9,11H2,1-2H3
InChIKeyUZIWLGHLJUGVMI-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone (CID 53185832) is 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone is CN(C)c1cc(OC2CCN(C(=O)CC3CCCC3)C2)ncn1.
What is the InChIKey of 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone?
The InChIKey is UZIWLGHLJUGVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(2)15-10-16(19-12-18-15)23-14-7-8-21(11-14)17(22)9-13-5-3-4-6-13/h10,12-14H,3-9,11H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 2.10, 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-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 53185832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).