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

C17H20N4O5 — CID 169414514

IUPAC1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCc3oc(C4CCOC4)nc3C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O5/c1-19-12(7-14(22)20(2)17(19)24)16(23)21-5-3-13-11(8-21)18-15(26-13)10-4-6-25-9-10/h7,10H,3-6,8-9H2,1-2H3
InChIKeyLVGGDHDSSUTJQW-UHFFFAOYSA-N
MW360.37 g/mol
LogP-0.23
Rot. Bonds2

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

1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione (PubChem CID 169414514) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione
PubChem CID169414514
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCc3oc(C4CCOC4)nc3C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O5/c1-19-12(7-14(22)20(2)17(19)24)16(23)21-5-3-13-11(8-21)18-15(26-13)10-4-6-25-9-10/h7,10H,3-6,8-9H2,1-2H3
InChIKeyLVGGDHDSSUTJQW-UHFFFAOYSA-N
XLogP-0.23
TPSA99.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione (CID 169414514) is 1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione is Cn1c(C(=O)N2CCc3oc(C4CCOC4)nc3C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione?
The InChIKey is LVGGDHDSSUTJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-19-12(7-14(22)20(2)17(19)24)16(23)21-5-3-13-11(8-21)18-15(26-13)10-4-6-25-9-10/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione has a molecular weight of 360.37 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 169414514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).