N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide

C15H23N3O3S — CID 135435295

IUPACN,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)N(CC)CC)nc(O)c(CC)c1=O
InChIInChI=1S/C15H23N3O3S/c1-5-9-18-14(21)11(6-2)13(20)16-15(18)22-10-12(19)17(7-3)8-4/h5,20H,1,6-10H2,2-4H3
InChIKeyVBINZOVVRBGDOJ-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.66
Rot. Bonds8

About N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide

N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135435295) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135435295
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)N(CC)CC)nc(O)c(CC)c1=O
InChIInChI=1S/C15H23N3O3S/c1-5-9-18-14(21)11(6-2)13(20)16-15(18)22-10-12(19)17(7-3)8-4/h5,20H,1,6-10H2,2-4H3
InChIKeyVBINZOVVRBGDOJ-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide (CID 135435295) is N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide is C=CCn1c(SCC(=O)N(CC)CC)nc(O)c(CC)c1=O.
What is the InChIKey of N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is VBINZOVVRBGDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-5-9-18-14(21)11(6-2)13(20)16-15(18)22-10-12(19)17(7-3)8-4/h5,20H,1,6-10H2,2-4H3.
What are the key properties of N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide?
N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 325.43 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-ethyl-4-hydroxy-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135435295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).