[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone

C16H22FN3O3 — CID 119100476

IUPAC[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCCc1ncnc(OC2CCN(C(=O)C3CCOCC3)C2)c1F
InChIInChI=1S/C16H22FN3O3/c1-2-13-14(17)15(19-10-18-13)23-12-3-6-20(9-12)16(21)11-4-7-22-8-5-11/h10-12H,2-9H2,1H3
InChIKeyYBECJRRMGRYCHP-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.58
Rot. Bonds4

About [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone

[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 119100476) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID119100476
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCCc1ncnc(OC2CCN(C(=O)C3CCOCC3)C2)c1F
InChIInChI=1S/C16H22FN3O3/c1-2-13-14(17)15(19-10-18-13)23-12-3-6-20(9-12)16(21)11-4-7-22-8-5-11/h10-12H,2-9H2,1H3
InChIKeyYBECJRRMGRYCHP-UHFFFAOYSA-N
XLogP1.58
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 119100476) is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone is CCc1ncnc(OC2CCN(C(=O)C3CCOCC3)C2)c1F.
What is the InChIKey of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is YBECJRRMGRYCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-2-13-14(17)15(19-10-18-13)23-12-3-6-20(9-12)16(21)11-4-7-22-8-5-11/h10-12H,2-9H2,1H3.
What are the key properties of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone?
[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 323.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 119100476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).