N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C16H25N3OS — CID 2125123

IUPACN-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCC2CCCCC2)nc(C)c1C
InChIInChI=1S/C16H25N3OS/c1-11-12(2)18-16(19-13(11)3)21-10-15(20)17-9-14-7-5-4-6-8-14/h14H,4-10H2,1-3H3,(H,17,20)
InChIKeyXPHPEAHKRKQJOO-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.19
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2125123) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2125123
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCC2CCCCC2)nc(C)c1C
InChIInChI=1S/C16H25N3OS/c1-11-12(2)18-16(19-13(11)3)21-10-15(20)17-9-14-7-5-4-6-8-14/h14H,4-10H2,1-3H3,(H,17,20)
InChIKeyXPHPEAHKRKQJOO-UHFFFAOYSA-N
XLogP3.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2078211
N-(propan-2-ylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2449001
N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2472630
N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2562985
N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2442329
N-(2-methylcyclohexyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 5151351
N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2083120
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 24982447
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-{[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[D]pyrimidin-2-YL]sulfanyl}acetamide
CID 1316540
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide
CID 45352217
2-(4,6-dimethylpyrimidin-2-ylthio)-N-cyclohexylacetamide
CID 712737
2-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-(2-sulfanylethyl)acetamide
CID 177679699

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2125123) is N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)NCC2CCCCC2)nc(C)c1C.
What is the InChIKey of N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is XPHPEAHKRKQJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11-12(2)18-16(19-13(11)3)21-10-15(20)17-9-14-7-5-4-6-8-14/h14H,4-10H2,1-3H3,(H,17,20).
What are the key properties of N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 307.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2125123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).