5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one

C17H26N4O3S — CID 149261512

IUPAC5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
SMILESCCCCc1cnc(NS(O)(O)CC)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C17H26N4O3S/c1-5-7-8-13-10-18-17(20-25(23,24)6-2)19-15(13)14-9-12(3)16(22)21(4)11-14/h9-11,23-24H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyXPIBGJRTSCUEIM-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.59
Rot. Bonds7

About 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one

5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one (PubChem CID 149261512) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
PubChem CID149261512
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
SMILESCCCCc1cnc(NS(O)(O)CC)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C17H26N4O3S/c1-5-7-8-13-10-18-17(20-25(23,24)6-2)19-15(13)14-9-12(3)16(22)21(4)11-14/h9-11,23-24H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyXPIBGJRTSCUEIM-UHFFFAOYSA-N
XLogP3.59
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.59
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]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one (CID 149261512) is 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one is CCCCc1cnc(NS(O)(O)CC)nc1-c1cc(C)c(=O)n(C)c1.
What is the InChIKey of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is XPIBGJRTSCUEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-5-7-8-13-10-18-17(20-25(23,24)6-2)19-15(13)14-9-12(3)16(22)21(4)11-14/h9-11,23-24H,5-8H2,1-4H3,(H,18,19,20).
What are the key properties of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one?
5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]amino]pyrimidin-4-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 366.49 g/mol, XLogP of 3.59, 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]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 149261512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).