2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

C16H25N3O3S — CID 135910101

IUPAC2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESCc1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)[nH]c(=O)c1CCO
InChIInChI=1S/C16H25N3O3S/c1-10-5-3-4-6-13(10)18-14(21)9-23-16-17-11(2)12(7-8-20)15(22)19-16/h10,13,20H,3-9H2,1-2H3,(H,18,21)(H,17,19,22)/t10-,13-/m0/s1
InChIKeyFHOSFHCJMPWCDV-GWCFXTLKSA-N
MW339.46 g/mol
LogP1.40
Rot. Bonds6

About 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 135910101) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
PubChem CID135910101
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESCc1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)[nH]c(=O)c1CCO
InChIInChI=1S/C16H25N3O3S/c1-10-5-3-4-6-13(10)18-14(21)9-23-16-17-11(2)12(7-8-20)15(22)19-16/h10,13,20H,3-9H2,1-2H3,(H,18,21)(H,17,19,22)/t10-,13-/m0/s1
InChIKeyFHOSFHCJMPWCDV-GWCFXTLKSA-N
XLogP1.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 135912760
N-(2-methylcyclohexyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 5151351
N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7246640
N-[(1S,2R)-2-methylcyclohexyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860090
N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135481691
N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713711
N-(2,6-diethylphenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135667120
N-(4-ethylphenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713659
N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 136906034
2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 135713676
N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7247124
N-(1,3-benzodioxol-5-yl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713712

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 135910101) is 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is Cc1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)[nH]c(=O)c1CCO.
What is the InChIKey of 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is FHOSFHCJMPWCDV-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-10-5-3-4-6-13(10)18-14(21)9-23-16-17-11(2)12(7-8-20)15(22)19-16/h10,13,20H,3-9H2,1-2H3,(H,18,21)(H,17,19,22)/t10-,13-/m0/s1.
What are the key properties of 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 135910101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).