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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Related Compounds

N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 17288729
N,N-dimethyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 71296347
N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8729649
N-benzyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-ethylacetamide
CID 16533833
2-[2-(carboxymethylsulfanyl)-6-phenylpyrimidin-4-yl]sulfanylacetic acid
CID 2772554
N,N-diethyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1071679
N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
CID 7810165
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 17391649
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide
CID 8731400
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 40560476

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).