N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

C17H21N3O4S — CID 135420398

IUPACN,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-4-19(5-2)16(23)11-25-17-18-14(21)10-15(22)20(17)12-6-8-13(24-3)9-7-12/h6-10,21H,4-5,11H2,1-3H3
InChIKeySNFYMAIWZHVMEN-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.91
Rot. Bonds7

About N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 135420398) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID135420398
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-4-19(5-2)16(23)11-25-17-18-14(21)10-15(22)20(17)12-6-8-13(24-3)9-7-12/h6-10,21H,4-5,11H2,1-3H3
InChIKeySNFYMAIWZHVMEN-UHFFFAOYSA-N
XLogP1.91
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 135420398) is N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is CCN(CC)C(=O)CSc1nc(O)cc(=O)n1-c1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is SNFYMAIWZHVMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-4-19(5-2)16(23)11-25-17-18-14(21)10-15(22)20(17)12-6-8-13(24-3)9-7-12/h6-10,21H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 363.44 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 135420398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).