4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine

C20H27N3O2 — CID 118722985

IUPAC4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine
SMILESCc1cc(OCCCCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H27N3O2/c1-17-16-19(22-20(21-17)18-8-4-2-5-9-18)25-13-7-3-6-10-23-11-14-24-15-12-23/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
InChIKeyCRERFYWOYLBDMC-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.33
Rot. Bonds8

About 4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine

4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine (PubChem CID 118722985) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine.

Molecular Properties

Compound Name4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine
PubChem CID118722985
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine
SMILESCc1cc(OCCCCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H27N3O2/c1-17-16-19(22-20(21-17)18-8-4-2-5-9-18)25-13-7-3-6-10-23-11-14-24-15-12-23/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
InChIKeyCRERFYWOYLBDMC-UHFFFAOYSA-N
XLogP3.33
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine?
The IUPAC name of 4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine (CID 118722985) is 4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine.
What is the SMILES notation for 4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine?
The canonical SMILES for 4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine is Cc1cc(OCCCCCN2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine?
The InChIKey is CRERFYWOYLBDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-17-16-19(22-20(21-17)18-8-4-2-5-9-18)25-13-7-3-6-10-23-11-14-24-15-12-23/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3.
What are the key properties of 4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine?
4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine has a molecular weight of 341.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine is sourced from PubChem (CID 118722985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).