2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide

C7H7N5OS — CID 865195

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide
SMILESN#Cc1cnc(SCC(N)=O)nc1N
InChIInChI=1S/C7H7N5OS/c8-1-4-2-11-7(12-6(4)10)14-3-5(9)13/h2H,3H2,(H2,9,13)(H2,10,11,12)
InChIKeyUKHJVDGVLLIJCR-UHFFFAOYSA-N
MW209.23 g/mol
LogP-0.49
Rot. Bonds3

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide (PubChem CID 865195) has the molecular formula C7H7N5OS and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide
PubChem CID865195
Molecular FormulaC7H7N5OS
Molecular Weight209.23 g/mol
Exact Mass209.04
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide
SMILESN#Cc1cnc(SCC(N)=O)nc1N
InChIInChI=1S/C7H7N5OS/c8-1-4-2-11-7(12-6(4)10)14-3-5(9)13/h2H,3H2,(H2,9,13)(H2,10,11,12)
InChIKeyUKHJVDGVLLIJCR-UHFFFAOYSA-N
XLogP-0.49
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-0.49
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)sulfanylacetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide (CID 865195) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide is N#Cc1cnc(SCC(N)=O)nc1N.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is UKHJVDGVLLIJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS/c8-1-4-2-11-7(12-6(4)10)14-3-5(9)13/h2H,3H2,(H2,9,13)(H2,10,11,12).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 209.23 g/mol, XLogP of -0.49, 3 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)sulfanylacetamide is sourced from PubChem (CID 865195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).