2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C14H15N5OS — CID 6896559

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C/c2cccnc2)n1
InChIInChI=1S/C14H15N5OS/c1-10-6-11(2)18-14(17-10)21-9-13(20)19-16-8-12-4-3-5-15-7-12/h3-8H,9H2,1-2H3,(H,19,20)/b16-8+
InChIKeyKQFJAACGOCRCTQ-LZYBPNLTSA-N
MW301.38 g/mol
LogP1.73
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 6896559) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID6896559
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C/c2cccnc2)n1
InChIInChI=1S/C14H15N5OS/c1-10-6-11(2)18-14(17-10)21-9-13(20)19-16-8-12-4-3-5-15-7-12/h3-8H,9H2,1-2H3,(H,19,20)/b16-8+
InChIKeyKQFJAACGOCRCTQ-LZYBPNLTSA-N
XLogP1.73
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 6896559) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is Cc1cc(C)nc(SCC(=O)N/N=C/c2cccnc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is KQFJAACGOCRCTQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-10-6-11(2)18-14(17-10)21-9-13(20)19-16-8-12-4-3-5-15-7-12/h3-8H,9H2,1-2H3,(H,19,20)/b16-8+.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 301.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 6896559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).