3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C13H19FN4O — CID 103867465

IUPAC3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1ncnc(NCCC(=O)N2CCCC2)c1F
InChIInChI=1S/C13H19FN4O/c1-2-10-12(14)13(17-9-16-10)15-6-5-11(19)18-7-3-4-8-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyUKRMHYBYXPUPDK-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.60
Rot. Bonds5

About 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 103867465) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID103867465
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1ncnc(NCCC(=O)N2CCCC2)c1F
InChIInChI=1S/C13H19FN4O/c1-2-10-12(14)13(17-9-16-10)15-6-5-11(19)18-7-3-4-8-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyUKRMHYBYXPUPDK-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.60
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)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 103867465) is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCc1ncnc(NCCC(=O)N2CCCC2)c1F.
What is the InChIKey of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UKRMHYBYXPUPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-2-10-12(14)13(17-9-16-10)15-6-5-11(19)18-7-3-4-8-18/h9H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 266.32 g/mol, XLogP of 1.60, 5 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)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 103867465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).