2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

C16H19N5OS — CID 8933167

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESN#Cc1cnc(SCC(=O)N(C2=CCCCC2)C2CC2)nc1N
InChIInChI=1S/C16H19N5OS/c17-8-11-9-19-16(20-15(11)18)23-10-14(22)21(13-6-7-13)12-4-2-1-3-5-12/h4,9,13H,1-3,5-7,10H2,(H2,18,19,20)
InChIKeyYRGPDROQWUZLBE-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.47
Rot. Bonds5

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (PubChem CID 8933167) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
PubChem CID8933167
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESN#Cc1cnc(SCC(=O)N(C2=CCCCC2)C2CC2)nc1N
InChIInChI=1S/C16H19N5OS/c17-8-11-9-19-16(20-15(11)18)23-10-14(22)21(13-6-7-13)12-4-2-1-3-5-12/h4,9,13H,1-3,5-7,10H2,(H2,18,19,20)
InChIKeyYRGPDROQWUZLBE-UHFFFAOYSA-N
XLogP2.47
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (CID 8933167) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is N#Cc1cnc(SCC(=O)N(C2=CCCCC2)C2CC2)nc1N.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The InChIKey is YRGPDROQWUZLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c17-8-11-9-19-16(20-15(11)18)23-10-14(22)21(13-6-7-13)12-4-2-1-3-5-12/h4,9,13H,1-3,5-7,10H2,(H2,18,19,20).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide has a molecular weight of 329.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 8933167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).