4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine

C18H28N4O2 — CID 56887084

IUPAC4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine
SMILESC=CCCC(CN1CCCC1)Oc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H28N4O2/c1-2-3-6-16(14-21-7-4-5-8-21)24-18-13-17(19-15-20-18)22-9-11-23-12-10-22/h2,13,15-16H,1,3-12,14H2
InChIKeyZBWBPDMRARNTHX-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.12
Rot. Bonds8

About 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine

4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine (PubChem CID 56887084) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine
PubChem CID56887084
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine
SMILESC=CCCC(CN1CCCC1)Oc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H28N4O2/c1-2-3-6-16(14-21-7-4-5-8-21)24-18-13-17(19-15-20-18)22-9-11-23-12-10-22/h2,13,15-16H,1,3-12,14H2
InChIKeyZBWBPDMRARNTHX-UHFFFAOYSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine (CID 56887084) is 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine is C=CCCC(CN1CCCC1)Oc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine?
The InChIKey is ZBWBPDMRARNTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-3-6-16(14-21-7-4-5-8-21)24-18-13-17(19-15-20-18)22-9-11-23-12-10-22/h2,13,15-16H,1,3-12,14H2.
What are the key properties of 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine?
4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine has a molecular weight of 332.45 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56887084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).