N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide

C16H17Cl2N3O2S — CID 24768448

IUPACN-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22)
InChIKeyALKHYYXDOUGTKZ-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.82
Rot. Bonds7

About N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide

N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide (PubChem CID 24768448) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
PubChem CID24768448
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC NameN-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22)
InChIKeyALKHYYXDOUGTKZ-UHFFFAOYSA-N
XLogP4.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide (CID 24768448) is N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide is CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
The InChIKey is ALKHYYXDOUGTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22).
What are the key properties of N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide has a molecular weight of 386.30 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-dichlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 24768448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).