5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide

C18H25N3O3S — CID 160545351

IUPAC5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide
SMILESCCCCc1cnc(C)nc1-c1cc(C(C)C)c(=O)n(C)c1.O=S=O
InChIInChI=1S/C18H25N3O.O2S/c1-6-7-8-14-10-19-13(4)20-17(14)15-9-16(12(2)3)18(22)21(5)11-15;1-3-2/h9-12H,6-8H2,1-5H3;
InChIKeyQXIVHXZVAAIOFZ-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.95
Rot. Bonds5

About 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide

5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide (PubChem CID 160545351) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide.

Molecular Properties

Compound Name5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide
PubChem CID160545351
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide
SMILESCCCCc1cnc(C)nc1-c1cc(C(C)C)c(=O)n(C)c1.O=S=O
InChIInChI=1S/C18H25N3O.O2S/c1-6-7-8-14-10-19-13(4)20-17(14)15-9-16(12(2)3)18(22)21(5)11-15;1-3-2/h9-12H,6-8H2,1-5H3;
InChIKeyQXIVHXZVAAIOFZ-UHFFFAOYSA-N
XLogP2.95
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide?
The IUPAC name of 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide (CID 160545351) is 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide.
What is the SMILES notation for 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide?
The canonical SMILES for 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide is CCCCc1cnc(C)nc1-c1cc(C(C)C)c(=O)n(C)c1.O=S=O.
What is the InChIKey of 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide?
The InChIKey is QXIVHXZVAAIOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.O2S/c1-6-7-8-14-10-19-13(4)20-17(14)15-9-16(12(2)3)18(22)21(5)11-15;1-3-2/h9-12H,6-8H2,1-5H3;.
What are the key properties of 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide?
5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide has a molecular weight of 363.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide is sourced from PubChem (CID 160545351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).