2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide

C20H22N4OS — CID 35177453

IUPAC2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide
SMILESCc1nc(-c2ccccc2)nc(SCC(=O)NC2CCCCC2)c1C#N
InChIInChI=1S/C20H22N4OS/c1-14-17(12-21)20(24-19(22-14)15-8-4-2-5-9-15)26-13-18(25)23-16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-11,13H2,1H3,(H,23,25)
InChIKeyDUNSWQIITFFVGZ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.86
Rot. Bonds5

About 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide

2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide (PubChem CID 35177453) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide
PubChem CID35177453
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide
SMILESCc1nc(-c2ccccc2)nc(SCC(=O)NC2CCCCC2)c1C#N
InChIInChI=1S/C20H22N4OS/c1-14-17(12-21)20(24-19(22-14)15-8-4-2-5-9-15)26-13-18(25)23-16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-11,13H2,1H3,(H,23,25)
InChIKeyDUNSWQIITFFVGZ-UHFFFAOYSA-N
XLogP3.86
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 3125700
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 125117782
N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
CID 1285701
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide
CID 865629
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876870
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
N-cyclooctyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4265490
N-cycloheptyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 977665
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 2672589
3-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclohexylpropanamide
CID 2975462

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide (CID 35177453) is 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide is Cc1nc(-c2ccccc2)nc(SCC(=O)NC2CCCCC2)c1C#N.
What is the InChIKey of 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide?
The InChIKey is DUNSWQIITFFVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-17(12-21)20(24-19(22-14)15-8-4-2-5-9-15)26-13-18(25)23-16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-11,13H2,1H3,(H,23,25).
What are the key properties of 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide?
2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide has a molecular weight of 366.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 35177453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).