2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide

C18H24N4O3S — CID 18587744

IUPAC2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(OC)c(=O)cc1CSc1nc(C)cc(C)n1
InChIInChI=1S/C18H24N4O3S/c1-5-6-19-17(24)10-22-9-16(25-4)15(23)8-14(22)11-26-18-20-12(2)7-13(3)21-18/h7-9H,5-6,10-11H2,1-4H3,(H,19,24)
InChIKeyXWGHGPNFLLAABC-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.08
Rot. Bonds8

About 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide

2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide (PubChem CID 18587744) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide
PubChem CID18587744
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(OC)c(=O)cc1CSc1nc(C)cc(C)n1
InChIInChI=1S/C18H24N4O3S/c1-5-6-19-17(24)10-22-9-16(25-4)15(23)8-14(22)11-26-18-20-12(2)7-13(3)21-18/h7-9H,5-6,10-11H2,1-4H3,(H,19,24)
InChIKeyXWGHGPNFLLAABC-UHFFFAOYSA-N
XLogP2.08
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide?
The IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide (CID 18587744) is 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide.
What is the SMILES notation for 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide?
The canonical SMILES for 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide is CCCNC(=O)Cn1cc(OC)c(=O)cc1CSc1nc(C)cc(C)n1.
What is the InChIKey of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide?
The InChIKey is XWGHGPNFLLAABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-5-6-19-17(24)10-22-9-16(25-4)15(23)8-14(22)11-26-18-20-12(2)7-13(3)21-18/h7-9H,5-6,10-11H2,1-4H3,(H,19,24).
What are the key properties of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide?
2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 18587744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).