4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine

C22H32N4O3 — CID 46960602

IUPAC4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine
SMILESCCc1cc(N2CCOCC2)nc(C2CCN(Cc3ccc(COC)o3)CC2)n1
InChIInChI=1S/C22H32N4O3/c1-3-18-14-21(26-10-12-28-13-11-26)24-22(23-18)17-6-8-25(9-7-17)15-19-4-5-20(29-19)16-27-2/h4-5,14,17H,3,6-13,15-16H2,1-2H3
InChIKeyPYCOCGMLOSKKSB-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.99
Rot. Bonds7

About 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine

4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine (PubChem CID 46960602) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine
PubChem CID46960602
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine
SMILESCCc1cc(N2CCOCC2)nc(C2CCN(Cc3ccc(COC)o3)CC2)n1
InChIInChI=1S/C22H32N4O3/c1-3-18-14-21(26-10-12-28-13-11-26)24-22(23-18)17-6-8-25(9-7-17)15-19-4-5-20(29-19)16-27-2/h4-5,14,17H,3,6-13,15-16H2,1-2H3
InChIKeyPYCOCGMLOSKKSB-UHFFFAOYSA-N
XLogP2.99
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine (CID 46960602) is 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine is CCc1cc(N2CCOCC2)nc(C2CCN(Cc3ccc(COC)o3)CC2)n1.
What is the InChIKey of 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine?
The InChIKey is PYCOCGMLOSKKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-3-18-14-21(26-10-12-28-13-11-26)24-22(23-18)17-6-8-25(9-7-17)15-19-4-5-20(29-19)16-27-2/h4-5,14,17H,3,6-13,15-16H2,1-2H3.
What are the key properties of 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine?
4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine has a molecular weight of 400.52 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46960602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).