N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C13H19N3OS — CID 2772852

IUPACN-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C13H19N3OS/c1-9-7-10(2)15-13(14-9)18-8-12(17)16-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyVRQWKFKZBRDMIV-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.24
Rot. Bonds4

About N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2772852) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2772852
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C13H19N3OS/c1-9-7-10(2)15-13(14-9)18-8-12(17)16-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyVRQWKFKZBRDMIV-UHFFFAOYSA-N
XLogP2.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 2772852) is N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is VRQWKFKZBRDMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-7-10(2)15-13(14-9)18-8-12(17)16-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 265.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2772852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).