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

C17H21N3O3S — CID 24768449

IUPACN-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
InChIInChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21)
InChIKeyGVHQDMHRJGJQHF-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.52
Rot. Bonds8

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

N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide (PubChem CID 24768449) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
PubChem CID24768449
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
InChIInChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21)
InChIKeyGVHQDMHRJGJQHF-UHFFFAOYSA-N
XLogP3.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide (CID 24768449) is N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide is CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1.
What is the InChIKey of N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
The InChIKey is GVHQDMHRJGJQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21).
What are the key properties of N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methoxyphenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 24768449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).