2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide

C15H15N5OS — CID 2995790

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1ncc(C#N)c(N)n1)c1ccccc1
InChIInChI=1S/C15H15N5OS/c1-2-20(12-6-4-3-5-7-12)13(21)10-22-15-18-9-11(8-16)14(17)19-15/h3-7,9H,2,10H2,1H3,(H2,17,18,19)
InChIKeyFOTTWGDWIVISKY-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.08
Rot. Bonds5

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

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide (PubChem CID 2995790) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
PubChem CID2995790
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1ncc(C#N)c(N)n1)c1ccccc1
InChIInChI=1S/C15H15N5OS/c1-2-20(12-6-4-3-5-7-12)13(21)10-22-15-18-9-11(8-16)14(17)19-15/h3-7,9H,2,10H2,1H3,(H2,17,18,19)
InChIKeyFOTTWGDWIVISKY-UHFFFAOYSA-N
XLogP2.08
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.08
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-ethyl-N-phenylacetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide (CID 2995790) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide is CCN(C(=O)CSc1ncc(C#N)c(N)n1)c1ccccc1.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
The InChIKey is FOTTWGDWIVISKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-20(12-6-4-3-5-7-12)13(21)10-22-15-18-9-11(8-16)14(17)19-15/h3-7,9H,2,10H2,1H3,(H2,17,18,19).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide has a molecular weight of 313.39 g/mol, XLogP of 2.08, 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-ethyl-N-phenylacetamide is sourced from PubChem (CID 2995790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).