2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide

C16H15ClN4OS — CID 17476826

IUPAC2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C16H15ClN4OS/c1-18-14(22)8-21(2)16-15-12(19-9-20-16)7-13(23-15)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3,(H,18,22)
InChIKeySJXJYVBHCDXDLH-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.19
Rot. Bonds4

About 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide

2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide (PubChem CID 17476826) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
PubChem CID17476826
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C16H15ClN4OS/c1-18-14(22)8-21(2)16-15-12(19-9-20-16)7-13(23-15)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3,(H,18,22)
InChIKeySJXJYVBHCDXDLH-UHFFFAOYSA-N
XLogP3.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide (CID 17476826) is 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1ncnc2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The InChIKey is SJXJYVBHCDXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-18-14(22)8-21(2)16-15-12(19-9-20-16)7-13(23-15)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3,(H,18,22).
What are the key properties of 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide has a molecular weight of 346.84 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 17476826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).