4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine

C13H17N5O — CID 28768618

IUPAC4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine
SMILESCCc1cc(-c2ccn[nH]2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N5O/c1-2-10-9-12(11-3-4-14-17-11)16-13(15-10)18-5-7-19-8-6-18/h3-4,9H,2,5-8H2,1H3,(H,14,17)
InChIKeyHWBMMJXOHFUJRK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.27
Rot. Bonds3

About 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine

4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine (PubChem CID 28768618) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine
PubChem CID28768618
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine
SMILESCCc1cc(-c2ccn[nH]2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N5O/c1-2-10-9-12(11-3-4-14-17-11)16-13(15-10)18-5-7-19-8-6-18/h3-4,9H,2,5-8H2,1H3,(H,14,17)
InChIKeyHWBMMJXOHFUJRK-UHFFFAOYSA-N
XLogP1.27
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine (CID 28768618) is 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine is CCc1cc(-c2ccn[nH]2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine?
The InChIKey is HWBMMJXOHFUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-10-9-12(11-3-4-14-17-11)16-13(15-10)18-5-7-19-8-6-18/h3-4,9H,2,5-8H2,1H3,(H,14,17).
What are the key properties of 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine?
4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 28768618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).