N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide

C14H19FN4O3 — CID 121017721

IUPACN-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCCc1ncnc(OC2CCN(C(=O)CNC(C)=O)C2)c1F
InChIInChI=1S/C14H19FN4O3/c1-3-11-13(15)14(18-8-17-11)22-10-4-5-19(7-10)12(21)6-16-9(2)20/h8,10H,3-7H2,1-2H3,(H,16,20)
InChIKeyZPMIUTOREQNOJB-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.29
Rot. Bonds5

About N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 121017721) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID121017721
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC NameN-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCCc1ncnc(OC2CCN(C(=O)CNC(C)=O)C2)c1F
InChIInChI=1S/C14H19FN4O3/c1-3-11-13(15)14(18-8-17-11)22-10-4-5-19(7-10)12(21)6-16-9(2)20/h8,10H,3-7H2,1-2H3,(H,16,20)
InChIKeyZPMIUTOREQNOJB-UHFFFAOYSA-N
XLogP0.29
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 121017721) is N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide is CCc1ncnc(OC2CCN(C(=O)CNC(C)=O)C2)c1F.
What is the InChIKey of N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is ZPMIUTOREQNOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-3-11-13(15)14(18-8-17-11)22-10-4-5-19(7-10)12(21)6-16-9(2)20/h8,10H,3-7H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 310.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 121017721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).