N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C15H12Cl2N4OS — CID 9195570

IUPACN-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncnc2sccc12
InChIInChI=1S/C15H12Cl2N4OS/c1-21(14-9-5-6-23-15(9)19-8-18-14)7-12(22)20-13-10(16)3-2-4-11(13)17/h2-6,8H,7H2,1H3,(H,20,22)
InChIKeyLPDGLJQHSIZPLP-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.07
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 9195570) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID9195570
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC NameN-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncnc2sccc12
InChIInChI=1S/C15H12Cl2N4OS/c1-21(14-9-5-6-23-15(9)19-8-18-14)7-12(22)20-13-10(16)3-2-4-11(13)17/h2-6,8H,7H2,1H3,(H,20,22)
InChIKeyLPDGLJQHSIZPLP-UHFFFAOYSA-N
XLogP4.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 9195570) is N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncnc2sccc12.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is LPDGLJQHSIZPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c1-21(14-9-5-6-23-15(9)19-8-18-14)7-12(22)20-13-10(16)3-2-4-11(13)17/h2-6,8H,7H2,1H3,(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 367.26 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 9195570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).