N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C13H19N3O2S — CID 3149633

IUPACN-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC1CCCCC1NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C13H19N3O2S/c1-9-4-2-3-5-10(9)15-12(18)8-19-13-14-7-6-11(17)16-13/h6-7,9-10H,2-5,8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyGFCGBBHYXFVWRT-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.56
Rot. Bonds4

About N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 3149633) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID3149633
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC1CCCCC1NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C13H19N3O2S/c1-9-4-2-3-5-10(9)15-12(18)8-19-13-14-7-6-11(17)16-13/h6-7,9-10H,2-5,8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyGFCGBBHYXFVWRT-UHFFFAOYSA-N
XLogP1.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-Dimethyl-piperidin-1-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone
CID 3149634
2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-cyclohexylpropanamide
CID 135485481
N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2360188
N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2362539
N-cycloheptyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2364724
N-cyclooctyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3635556
2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
CID 135403543
N-cyclohexyl-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide
CID 860086
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3478606
N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 5079002
N-methyl-N-(2-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136706634
2-(6-amino-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 154870643

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 3149633) is N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CC1CCCCC1NC(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is GFCGBBHYXFVWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-4-2-3-5-10(9)15-12(18)8-19-13-14-7-6-11(17)16-13/h6-7,9-10H,2-5,8H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3149633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).