N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C14H21N3O2S — CID 135517950

IUPACN-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2CCCCC2)[nH]c(=O)c1C
InChIInChI=1S/C14H21N3O2S/c1-9-10(2)15-14(17-13(9)19)20-8-12(18)16-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyIDOFMXSOVCZDDD-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.93
Rot. Bonds4

About N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135517950) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135517950
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2CCCCC2)[nH]c(=O)c1C
InChIInChI=1S/C14H21N3O2S/c1-9-10(2)15-14(17-13(9)19)20-8-12(18)16-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyIDOFMXSOVCZDDD-UHFFFAOYSA-N
XLogP1.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135517950) is N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)NC2CCCCC2)[nH]c(=O)c1C.
What is the InChIKey of N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is IDOFMXSOVCZDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-10(2)15-14(17-13(9)19)20-8-12(18)16-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135517950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).