4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine

C18H23N3O2 — CID 118722983

IUPAC4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine
SMILESCc1cc(OCCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c1-15-14-17(20-18(19-15)16-6-3-2-4-7-16)23-11-5-8-21-9-12-22-13-10-21/h2-4,6-7,14H,5,8-13H2,1H3
InChIKeyHJDSPOTXQZRDDK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.55
Rot. Bonds6

About 4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine

4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine (PubChem CID 118722983) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine
PubChem CID118722983
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine
SMILESCc1cc(OCCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c1-15-14-17(20-18(19-15)16-6-3-2-4-7-16)23-11-5-8-21-9-12-22-13-10-21/h2-4,6-7,14H,5,8-13H2,1H3
InChIKeyHJDSPOTXQZRDDK-UHFFFAOYSA-N
XLogP2.55
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.55
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-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine?
The IUPAC name of 4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine (CID 118722983) is 4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine.
What is the SMILES notation for 4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine?
The canonical SMILES for 4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine is Cc1cc(OCCCN2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine?
The InChIKey is HJDSPOTXQZRDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-15-14-17(20-18(19-15)16-6-3-2-4-7-16)23-11-5-8-21-9-12-22-13-10-21/h2-4,6-7,14H,5,8-13H2,1H3.
What are the key properties of 4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine?
4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine is sourced from PubChem (CID 118722983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).