2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide

C22H23N3OS — CID 3640790

IUPAC2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H23N3OS/c1-3-25(4-2)21(26)16-27-22-23-19(17-11-7-5-8-12-17)15-20(24-22)18-13-9-6-10-14-18/h5-15H,3-4,16H2,1-2H3
InChIKeyGCHMMAXKOYCBAZ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.77
Rot. Bonds7

About 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide

2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 3640790) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
PubChem CID3640790
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H23N3OS/c1-3-25(4-2)21(26)16-27-22-23-19(17-11-7-5-8-12-17)15-20(24-22)18-13-9-6-10-14-18/h5-15H,3-4,16H2,1-2H3
InChIKeyGCHMMAXKOYCBAZ-UHFFFAOYSA-N
XLogP4.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide (CID 3640790) is 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is GCHMMAXKOYCBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-3-25(4-2)21(26)16-27-22-23-19(17-11-7-5-8-12-17)15-20(24-22)18-13-9-6-10-14-18/h5-15H,3-4,16H2,1-2H3.
What are the key properties of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 377.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 3640790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).