2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide

C11H15N5OS2 — CID 171985978

IUPAC2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCSc1nc(N)nc(SCC(=O)NC(C)C)c1C#N
InChIInChI=1S/C11H15N5OS2/c1-6(2)14-8(17)5-19-10-7(4-12)9(18-3)15-11(13)16-10/h6H,5H2,1-3H3,(H,14,17)(H2,13,15,16)
InChIKeyPANWLEZATIXWBX-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.27
Rot. Bonds5

About 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide

2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 171985978) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide
PubChem CID171985978
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCSc1nc(N)nc(SCC(=O)NC(C)C)c1C#N
InChIInChI=1S/C11H15N5OS2/c1-6(2)14-8(17)5-19-10-7(4-12)9(18-3)15-11(13)16-10/h6H,5H2,1-3H3,(H,14,17)(H2,13,15,16)
InChIKeyPANWLEZATIXWBX-UHFFFAOYSA-N
XLogP1.27
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide (CID 171985978) is 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide is CSc1nc(N)nc(SCC(=O)NC(C)C)c1C#N.
What is the InChIKey of 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is PANWLEZATIXWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-6(2)14-8(17)5-19-10-7(4-12)9(18-3)15-11(13)16-10/h6H,5H2,1-3H3,(H,14,17)(H2,13,15,16).
What are the key properties of 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide?
2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 297.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 171985978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).