1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione

C16H20N4O6S — CID 169416723

IUPAC1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCc3oc(C4CCOC4)nc3C2)c(=O)n(C)c1=O
InChIInChI=1S/C16H20N4O6S/c1-18-8-13(15(21)19(2)16(18)22)27(23,24)20-5-3-12-11(7-20)17-14(26-12)10-4-6-25-9-10/h8,10H,3-7,9H2,1-2H3
InChIKeyGYEPIQZNTKQJSF-UHFFFAOYSA-N
MW396.43 g/mol
LogP-0.68
Rot. Bonds3

About 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione (PubChem CID 169416723) has the molecular formula C16H20N4O6S and a molecular weight of 396.43 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione
PubChem CID169416723
Molecular FormulaC16H20N4O6S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCc3oc(C4CCOC4)nc3C2)c(=O)n(C)c1=O
InChIInChI=1S/C16H20N4O6S/c1-18-8-13(15(21)19(2)16(18)22)27(23,24)20-5-3-12-11(7-20)17-14(26-12)10-4-6-25-9-10/h8,10H,3-7,9H2,1-2H3
InChIKeyGYEPIQZNTKQJSF-UHFFFAOYSA-N
XLogP-0.68
TPSA116.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione (CID 169416723) is 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione is Cn1cc(S(=O)(=O)N2CCc3oc(C4CCOC4)nc3C2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione?
The InChIKey is GYEPIQZNTKQJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6S/c1-18-8-13(15(21)19(2)16(18)22)27(23,24)20-5-3-12-11(7-20)17-14(26-12)10-4-6-25-9-10/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione has a molecular weight of 396.43 g/mol, XLogP of -0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 169416723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).