4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine

C15H23N3OS — CID 56899390

IUPAC4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine
SMILESC=CCCC(CN1CCSCC1)Oc1nccc(C)n1
InChIInChI=1S/C15H23N3OS/c1-3-4-5-14(12-18-8-10-20-11-9-18)19-15-16-7-6-13(2)17-15/h3,6-7,14H,1,4-5,8-12H2,2H3
InChIKeyXDKMQNVJWUFNIP-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.55
Rot. Bonds7

About 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine

4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine (PubChem CID 56899390) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine
PubChem CID56899390
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine
SMILESC=CCCC(CN1CCSCC1)Oc1nccc(C)n1
InChIInChI=1S/C15H23N3OS/c1-3-4-5-14(12-18-8-10-20-11-9-18)19-15-16-7-6-13(2)17-15/h3,6-7,14H,1,4-5,8-12H2,2H3
InChIKeyXDKMQNVJWUFNIP-UHFFFAOYSA-N
XLogP2.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine?
The IUPAC name of 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine (CID 56899390) is 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine.
What is the SMILES notation for 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine?
The canonical SMILES for 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine is C=CCCC(CN1CCSCC1)Oc1nccc(C)n1.
What is the InChIKey of 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine?
The InChIKey is XDKMQNVJWUFNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-4-5-14(12-18-8-10-20-11-9-18)19-15-16-7-6-13(2)17-15/h3,6-7,14H,1,4-5,8-12H2,2H3.
What are the key properties of 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine?
4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine has a molecular weight of 293.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]thiomorpholine is sourced from PubChem (CID 56899390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).