2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C18H27N3O2S — CID 25475983

IUPAC2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCCc1nc(C)c(C(C)=O)c(SCC(=O)N[C@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C18H27N3O2S/c1-5-15-19-12(3)17(13(4)22)18(21-15)24-10-16(23)20-14-9-7-6-8-11(14)2/h11,14H,5-10H2,1-4H3,(H,20,23)/t11-,14+/m1/s1
InChIKeyCKXSDCZWFLVLET-RISCZKNCSA-N
MW349.50 g/mol
LogP3.34
Rot. Bonds6

About 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 25475983) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID25475983
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCCc1nc(C)c(C(C)=O)c(SCC(=O)N[C@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C18H27N3O2S/c1-5-15-19-12(3)17(13(4)22)18(21-15)24-10-16(23)20-14-9-7-6-8-11(14)2/h11,14H,5-10H2,1-4H3,(H,20,23)/t11-,14+/m1/s1
InChIKeyCKXSDCZWFLVLET-RISCZKNCSA-N
XLogP3.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

N-(2-methylcyclohexyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 5151351
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43250724
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
N-[(1S,2S)-2-methylcyclohexyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680409
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 135910101
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11930485
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2693147
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116669
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116672
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3137198

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 25475983) is 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide is CCc1nc(C)c(C(C)=O)c(SCC(=O)N[C@H]2CCCC[C@H]2C)n1.
What is the InChIKey of 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is CKXSDCZWFLVLET-RISCZKNCSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-5-15-19-12(3)17(13(4)22)18(21-15)24-10-16(23)20-14-9-7-6-8-11(14)2/h11,14H,5-10H2,1-4H3,(H,20,23)/t11-,14+/m1/s1.
What are the key properties of 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 25475983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).