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

C19H25N3O2 — CID 118722984

IUPAC4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine
SMILESCc1cc(OCCCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-16-15-18(21-19(20-16)17-7-3-2-4-8-17)24-12-6-5-9-22-10-13-23-14-11-22/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyQIQWVCRJOOTRAF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.94
Rot. Bonds7

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

4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine (PubChem CID 118722984) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine.

Molecular Properties

Compound Name4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine
PubChem CID118722984
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine
SMILESCc1cc(OCCCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-16-15-18(21-19(20-16)17-7-3-2-4-8-17)24-12-6-5-9-22-10-13-23-14-11-22/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyQIQWVCRJOOTRAF-UHFFFAOYSA-N
XLogP2.94
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.94
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-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine?
The IUPAC name of 4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine (CID 118722984) is 4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine.
What is the SMILES notation for 4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine?
The canonical SMILES for 4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine is Cc1cc(OCCCCN2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine?
The InChIKey is QIQWVCRJOOTRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-16-15-18(21-19(20-16)17-7-3-2-4-8-17)24-12-6-5-9-22-10-13-23-14-11-22/h2-4,7-8,15H,5-6,9-14H2,1H3.
What are the key properties of 4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine?
4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine has a molecular weight of 327.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine is sourced from PubChem (CID 118722984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).