2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide

C15H15N5OS — CID 133404654

IUPAC2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
SMILESCCc1nc(NCC(=O)Nc2ccccn2)c2ccsc2n1
InChIInChI=1S/C15H15N5OS/c1-2-11-19-14(10-6-8-22-15(10)20-11)17-9-13(21)18-12-5-3-4-7-16-12/h3-8H,2,9H2,1H3,(H,16,18,21)(H,17,19,20)
InChIKeyBFLFPIQHQQCTCD-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.70
Rot. Bonds5

About 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide

2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide (PubChem CID 133404654) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
PubChem CID133404654
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
SMILESCCc1nc(NCC(=O)Nc2ccccn2)c2ccsc2n1
InChIInChI=1S/C15H15N5OS/c1-2-11-19-14(10-6-8-22-15(10)20-11)17-9-13(21)18-12-5-3-4-7-16-12/h3-8H,2,9H2,1H3,(H,16,18,21)(H,17,19,20)
InChIKeyBFLFPIQHQQCTCD-UHFFFAOYSA-N
XLogP2.70
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide (CID 133404654) is 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide is CCc1nc(NCC(=O)Nc2ccccn2)c2ccsc2n1.
What is the InChIKey of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide?
The InChIKey is BFLFPIQHQQCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-11-19-14(10-6-8-22-15(10)20-11)17-9-13(21)18-12-5-3-4-7-16-12/h3-8H,2,9H2,1H3,(H,16,18,21)(H,17,19,20).
What are the key properties of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide?
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide has a molecular weight of 313.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 133404654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).