N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide

C17H21N3O2S — CID 24768450

IUPACN-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
InChIInChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21)
InChIKeyRGPCIPPBXWHJOD-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.56
Rot. Bonds8

About N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide

N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide (PubChem CID 24768450) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide
PubChem CID24768450
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
InChIInChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21)
InChIKeyRGPCIPPBXWHJOD-UHFFFAOYSA-N
XLogP3.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide (CID 24768450) is N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide is CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1.
What is the InChIKey of N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide?
The InChIKey is RGPCIPPBXWHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide?
N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 24768450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).