6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine

C16H24N6O2 — CID 50974100

IUPAC6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC(C)c2nc(CC)no2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H24N6O2/c1-4-12-10-14(17-11(3)15-19-13(5-2)21-24-15)20-16(18-12)22-6-8-23-9-7-22/h10-11H,4-9H2,1-3H3,(H,17,18,20)
InChIKeyMFKHVFNNVSUQNF-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.99
Rot. Bonds6

About 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine

6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 50974100) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID50974100
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC(C)c2nc(CC)no2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H24N6O2/c1-4-12-10-14(17-11(3)15-19-13(5-2)21-24-15)20-16(18-12)22-6-8-23-9-7-22/h10-11H,4-9H2,1-3H3,(H,17,18,20)
InChIKeyMFKHVFNNVSUQNF-UHFFFAOYSA-N
XLogP1.99
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 50974100) is 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine is CCc1cc(NC(C)c2nc(CC)no2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is MFKHVFNNVSUQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-12-10-14(17-11(3)15-19-13(5-2)21-24-15)20-16(18-12)22-6-8-23-9-7-22/h10-11H,4-9H2,1-3H3,(H,17,18,20).
What are the key properties of 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 50974100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).