N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide

C14H14N4OS — CID 58904928

IUPACN-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccc(-c2ccccn2)n1)NC1CC1
InChIInChI=1S/C14H14N4OS/c19-13(17-10-4-5-10)9-20-14-16-8-6-12(18-14)11-3-1-2-7-15-11/h1-3,6-8,10H,4-5,9H2,(H,17,19)
InChIKeyVYOUVNLXSUDJAG-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.91
Rot. Bonds5

About N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide

N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 58904928) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID58904928
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccc(-c2ccccn2)n1)NC1CC1
InChIInChI=1S/C14H14N4OS/c19-13(17-10-4-5-10)9-20-14-16-8-6-12(18-14)11-3-1-2-7-15-11/h1-3,6-8,10H,4-5,9H2,(H,17,19)
InChIKeyVYOUVNLXSUDJAG-UHFFFAOYSA-N
XLogP1.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905048
methyl (Z)-3-methoxy-4-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylbut-2-enoate
CID 58904810
(2-oxo-1,3-diazinan-5-yl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904977
2-methoxyethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905005
(2,2,3,3-tetrafluorocyclobutyl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905042
ethane;oxan-3-yl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 142164830
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905109
3-acetyloxybutan-2-yl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905046
3-(propanoylamino)propyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904853
N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905098
N-(4-methylcyclohexyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730989
N-piperidin-4-yl-4-pyridin-2-ylpyrimidine-2-carboxamide
CID 175910365

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide (CID 58904928) is N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide is O=C(CSc1nccc(-c2ccccn2)n1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is VYOUVNLXSUDJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-13(17-10-4-5-10)9-20-14-16-8-6-12(18-14)11-3-1-2-7-15-11/h1-3,6-8,10H,4-5,9H2,(H,17,19).
What are the key properties of N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 286.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 58904928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).