4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine

C14H14ClN3OS — CID 44531111

IUPAC4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine
SMILESClc1ccc(Sc2cncnc2N2CCOCC2)cc1
InChIInChI=1S/C14H14ClN3OS/c15-11-1-3-12(4-2-11)20-13-9-16-10-17-14(13)18-5-7-19-8-6-18/h1-4,9-10H,5-8H2
InChIKeyKSCYXYTWHAGYLD-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.12
Rot. Bonds3

About 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine

4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine (PubChem CID 44531111) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine
PubChem CID44531111
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine
SMILESClc1ccc(Sc2cncnc2N2CCOCC2)cc1
InChIInChI=1S/C14H14ClN3OS/c15-11-1-3-12(4-2-11)20-13-9-16-10-17-14(13)18-5-7-19-8-6-18/h1-4,9-10H,5-8H2
InChIKeyKSCYXYTWHAGYLD-UHFFFAOYSA-N
XLogP3.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine 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-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine (CID 44531111) is 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine is Clc1ccc(Sc2cncnc2N2CCOCC2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine?
The InChIKey is KSCYXYTWHAGYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-11-1-3-12(4-2-11)20-13-9-16-10-17-14(13)18-5-7-19-8-6-18/h1-4,9-10H,5-8H2.
What are the key properties of 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine?
4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine has a molecular weight of 307.81 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)sulfanylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 44531111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).