5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one

C16H24N4O3S — CID 148869710

IUPAC5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCCCCc1cnc(NS(O)(O)CC)nc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C16H24N4O3S/c1-4-6-7-12-10-17-16(19-24(22,23)5-2)18-15(12)13-8-9-14(21)20(3)11-13/h8-11,22-23H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyPAXSWDCNGWFQBG-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.28
Rot. Bonds7

About 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one

5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one (PubChem CID 148869710) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one
PubChem CID148869710
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCCCCc1cnc(NS(O)(O)CC)nc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C16H24N4O3S/c1-4-6-7-12-10-17-16(19-24(22,23)5-2)18-15(12)13-8-9-14(21)20(3)11-13/h8-11,22-23H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyPAXSWDCNGWFQBG-UHFFFAOYSA-N
XLogP3.28
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one (CID 148869710) is 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one is CCCCc1cnc(NS(O)(O)CC)nc1-c1ccc(=O)n(C)c1.
What is the InChIKey of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is PAXSWDCNGWFQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-4-6-7-12-10-17-16(19-24(22,23)5-2)18-15(12)13-8-9-14(21)20(3)11-13/h8-11,22-23H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one?
5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 352.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 148869710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).