4-(2,6-dipentylpyrimidin-4-yl)morpholine

C18H31N3O — CID 68736218

IUPAC4-(2,6-dipentylpyrimidin-4-yl)morpholine
SMILESCCCCCc1cc(N2CCOCC2)nc(CCCCC)n1
InChIInChI=1S/C18H31N3O/c1-3-5-7-9-16-15-18(21-11-13-22-14-12-21)20-17(19-16)10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyCCCDYCXDYZOACH-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.78
Rot. Bonds9

About 4-(2,6-dipentylpyrimidin-4-yl)morpholine

4-(2,6-dipentylpyrimidin-4-yl)morpholine (PubChem CID 68736218) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-(2,6-dipentylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,6-dipentylpyrimidin-4-yl)morpholine
PubChem CID68736218
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name4-(2,6-dipentylpyrimidin-4-yl)morpholine
SMILESCCCCCc1cc(N2CCOCC2)nc(CCCCC)n1
InChIInChI=1S/C18H31N3O/c1-3-5-7-9-16-15-18(21-11-13-22-14-12-21)20-17(19-16)10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyCCCDYCXDYZOACH-UHFFFAOYSA-N
XLogP3.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dipentylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2,6-dipentylpyrimidin-4-yl)morpholine (CID 68736218) is 4-(2,6-dipentylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2,6-dipentylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2,6-dipentylpyrimidin-4-yl)morpholine is CCCCCc1cc(N2CCOCC2)nc(CCCCC)n1.
What is the InChIKey of 4-(2,6-dipentylpyrimidin-4-yl)morpholine?
The InChIKey is CCCDYCXDYZOACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-3-5-7-9-16-15-18(21-11-13-22-14-12-21)20-17(19-16)10-8-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 4-(2,6-dipentylpyrimidin-4-yl)morpholine?
4-(2,6-dipentylpyrimidin-4-yl)morpholine has a molecular weight of 305.47 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dipentylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 68736218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).