4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine

C13H16FN5O — CID 121496357

IUPAC4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine
SMILESCCn1nccc1-c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C13H16FN5O/c1-2-19-11(3-4-16-19)12-15-9-10(14)13(17-12)18-5-7-20-8-6-18/h3-4,9H,2,5-8H2,1H3
InChIKeyOHIDFXZJWYZROC-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.34
Rot. Bonds3

About 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine

4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine (PubChem CID 121496357) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine
PubChem CID121496357
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine
SMILESCCn1nccc1-c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C13H16FN5O/c1-2-19-11(3-4-16-19)12-15-9-10(14)13(17-12)18-5-7-20-8-6-18/h3-4,9H,2,5-8H2,1H3
InChIKeyOHIDFXZJWYZROC-UHFFFAOYSA-N
XLogP1.34
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine (CID 121496357) is 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine is CCn1nccc1-c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine?
The InChIKey is OHIDFXZJWYZROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-2-19-11(3-4-16-19)12-15-9-10(14)13(17-12)18-5-7-20-8-6-18/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine?
4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine has a molecular weight of 277.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylpyrazol-3-yl)-5-fluoropyrimidin-4-yl]morpholine is sourced from PubChem (CID 121496357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).