N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide

C15H20F3N3O2S — CID 136797584

IUPACN-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCC1CCC(N(C)C(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H20F3N3O2S/c1-9-3-5-10(6-4-9)21(2)13(23)8-24-14-19-11(15(16,17)18)7-12(22)20-14/h7,9-10H,3-6,8H2,1-2H3,(H,19,20,22)
InChIKeyFJPFXQLQKYTELG-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.92
Rot. Bonds4

About N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 136797584) has the molecular formula C15H20F3N3O2S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID136797584
Molecular FormulaC15H20F3N3O2S
Molecular Weight363.41 g/mol
Exact Mass363.12
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCC1CCC(N(C)C(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H20F3N3O2S/c1-9-3-5-10(6-4-9)21(2)13(23)8-24-14-19-11(15(16,17)18)7-12(22)20-14/h7,9-10H,3-6,8H2,1-2H3,(H,19,20,22)
InChIKeyFJPFXQLQKYTELG-UHFFFAOYSA-N
XLogP2.92
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 136797584) is N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide is CC1CCC(N(C)C(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is FJPFXQLQKYTELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2S/c1-9-3-5-10(6-4-9)21(2)13(23)8-24-14-19-11(15(16,17)18)7-12(22)20-14/h7,9-10H,3-6,8H2,1-2H3,(H,19,20,22).
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 363.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 136797584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).