N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C15H13N3O2S — CID 2086127

IUPACN-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCN(C(=O)COc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C15H13N3O2S/c1-18(11-5-3-2-4-6-11)13(19)9-20-14-12-7-8-21-15(12)17-10-16-14/h2-8,10H,9H2,1H3
InChIKeyCKVXPFHRDQICIV-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.73
Rot. Bonds4

About N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2086127) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2086127
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCN(C(=O)COc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C15H13N3O2S/c1-18(11-5-3-2-4-6-11)13(19)9-20-14-12-7-8-21-15(12)17-10-16-14/h2-8,10H,9H2,1H3
InChIKeyCKVXPFHRDQICIV-UHFFFAOYSA-N
XLogP2.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2086127) is N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CN(C(=O)COc1ncnc2sccc12)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is CKVXPFHRDQICIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-18(11-5-3-2-4-6-11)13(19)9-20-14-12-7-8-21-15(12)17-10-16-14/h2-8,10H,9H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 299.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2086127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).