4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine

C19H23N3O2 — CID 118722987

IUPAC4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine
SMILESCc1cc(OC/C=C/CN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H23N3O2/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/h2-8,15H,9-14H2,1H3/b6-5+
InChIKeyQFFJSANPIDHCJZ-AATRIKPKSA-N
MW325.41 g/mol
LogP2.72
Rot. Bonds6

About 4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine

4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine (PubChem CID 118722987) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine
PubChem CID118722987
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine
SMILESCc1cc(OC/C=C/CN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H23N3O2/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/h2-8,15H,9-14H2,1H3/b6-5+
InChIKeyQFFJSANPIDHCJZ-AATRIKPKSA-N
XLogP2.72
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine?
The IUPAC name of 4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine (CID 118722987) is 4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine is Cc1cc(OC/C=C/CN2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine?
The InChIKey is QFFJSANPIDHCJZ-AATRIKPKSA-N. The full InChI is InChI=1S/C19H23N3O2/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/h2-8,15H,9-14H2,1H3/b6-5+.
What are the key properties of 4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine?
4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine has a molecular weight of 325.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine is sourced from PubChem (CID 118722987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).