3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide

C14H21FN4O2 — CID 119100494

IUPAC3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCc1ncnc(OC2CCN(C(=O)NC(C)C)C2)c1F
InChIInChI=1S/C14H21FN4O2/c1-4-11-12(15)13(17-8-16-11)21-10-5-6-19(7-10)14(20)18-9(2)3/h8-10H,4-7H2,1-3H3,(H,18,20)
InChIKeyGOKNATLYIUVQOZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.75
Rot. Bonds4

About 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide

3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 119100494) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID119100494
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCc1ncnc(OC2CCN(C(=O)NC(C)C)C2)c1F
InChIInChI=1S/C14H21FN4O2/c1-4-11-12(15)13(17-8-16-11)21-10-5-6-19(7-10)14(20)18-9(2)3/h8-10H,4-7H2,1-3H3,(H,18,20)
InChIKeyGOKNATLYIUVQOZ-UHFFFAOYSA-N
XLogP1.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide (CID 119100494) is 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide is CCc1ncnc(OC2CCN(C(=O)NC(C)C)C2)c1F.
What is the InChIKey of 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is GOKNATLYIUVQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-4-11-12(15)13(17-8-16-11)21-10-5-6-19(7-10)14(20)18-9(2)3/h8-10H,4-7H2,1-3H3,(H,18,20).
What are the key properties of 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide?
3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 119100494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).