4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine

C17H20ClN3OS — CID 852308

IUPAC4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine
SMILESCC(C)Sc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3OS/c1-12(2)23-16-11-15(21-7-9-22-10-8-21)19-17(20-16)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUXBMYXQWZYXXCV-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.13
Rot. Bonds4

About 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine

4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine (PubChem CID 852308) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine
PubChem CID852308
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine
SMILESCC(C)Sc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3OS/c1-12(2)23-16-11-15(21-7-9-22-10-8-21)19-17(20-16)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUXBMYXQWZYXXCV-UHFFFAOYSA-N
XLogP4.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-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-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine (CID 852308) is 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine is CC(C)Sc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine?
The InChIKey is UXBMYXQWZYXXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-12(2)23-16-11-15(21-7-9-22-10-8-21)19-17(20-16)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine?
4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine has a molecular weight of 349.89 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-6-propan-2-ylsulfanylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 852308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).