2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide

C13H17N5OS — CID 863596

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESN#Cc1cnc(SCC(=O)NC2CCCCC2)nc1N
InChIInChI=1S/C13H17N5OS/c14-6-9-7-16-13(18-12(9)15)20-8-11(19)17-10-4-2-1-3-5-10/h7,10H,1-5,8H2,(H,17,19)(H2,15,16,18)
InChIKeyUPXZTBYKDBEUAY-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.47
Rot. Bonds4

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide (PubChem CID 863596) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide
PubChem CID863596
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESN#Cc1cnc(SCC(=O)NC2CCCCC2)nc1N
InChIInChI=1S/C13H17N5OS/c14-6-9-7-16-13(18-12(9)15)20-8-11(19)17-10-4-2-1-3-5-10/h7,10H,1-5,8H2,(H,17,19)(H2,15,16,18)
InChIKeyUPXZTBYKDBEUAY-UHFFFAOYSA-N
XLogP1.47
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
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-cyclohexylacetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide (CID 863596) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide is N#Cc1cnc(SCC(=O)NC2CCCCC2)nc1N.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
The InChIKey is UPXZTBYKDBEUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c14-6-9-7-16-13(18-12(9)15)20-8-11(19)17-10-4-2-1-3-5-10/h7,10H,1-5,8H2,(H,17,19)(H2,15,16,18).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 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-cyclohexylacetamide is sourced from PubChem (CID 863596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).