N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide

C16H15N3O2S — CID 4880949

IUPACN,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCN(C)C(=O)COc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H15N3O2S/c1-19(2)14(20)9-21-15-12-8-13(11-6-4-3-5-7-11)22-16(12)18-10-17-15/h3-8,10H,9H2,1-2H3
InChIKeyGFGFBJOLVZXUIX-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.83
Rot. Bonds4

About N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide

N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 4880949) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
PubChem CID4880949
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCN(C)C(=O)COc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H15N3O2S/c1-19(2)14(20)9-21-15-12-8-13(11-6-4-3-5-7-11)22-16(12)18-10-17-15/h3-8,10H,9H2,1-2H3
InChIKeyGFGFBJOLVZXUIX-UHFFFAOYSA-N
XLogP2.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (CID 4880949) is N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is CN(C)C(=O)COc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is GFGFBJOLVZXUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-19(2)14(20)9-21-15-12-8-13(11-6-4-3-5-7-11)22-16(12)18-10-17-15/h3-8,10H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 313.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 4880949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).