4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine

C20H18ClN3OS — CID 1484728

IUPAC4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine
SMILESClc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18ClN3OS/c21-16-6-8-17(9-7-16)26-19-14-18(24-10-12-25-13-11-24)22-20(23-19)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChIKeyNVGGHEIBFBOAHY-UHFFFAOYSA-N
MW383.90 g/mol
LogP4.78
Rot. Bonds4

About 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine

4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 1484728) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine
PubChem CID1484728
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine
SMILESClc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18ClN3OS/c21-16-6-8-17(9-7-16)26-19-14-18(24-10-12-25-13-11-24)22-20(23-19)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChIKeyNVGGHEIBFBOAHY-UHFFFAOYSA-N
XLogP4.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine (CID 1484728) is 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine is Clc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is NVGGHEIBFBOAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c21-16-6-8-17(9-7-16)26-19-14-18(24-10-12-25-13-11-24)22-20(23-19)15-4-2-1-3-5-15/h1-9,14H,10-13H2.
What are the key properties of 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 383.90 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1484728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).