3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C17H20N4O6 — CID 54735119

IUPAC3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCNC(=O)c1ccoc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C17H20N4O6/c1-17(2)16-20-11(12(22)15(25)21(16)5-7-27-17)14(24)19-8-10-9(4-6-26-10)13(23)18-3/h4,6,22H,5,7-8H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyDAGMRKDXVIZDRE-UHFFFAOYSA-N
MW376.37 g/mol
LogP0.10
Rot. Bonds4

About 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54735119) has the molecular formula C17H20N4O6 and a molecular weight of 376.37 g/mol. Its IUPAC name is 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54735119
Molecular FormulaC17H20N4O6
Molecular Weight376.37 g/mol
Exact Mass376.14
IUPAC Name3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCNC(=O)c1ccoc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C17H20N4O6/c1-17(2)16-20-11(12(22)15(25)21(16)5-7-27-17)14(24)19-8-10-9(4-6-26-10)13(23)18-3/h4,6,22H,5,7-8H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyDAGMRKDXVIZDRE-UHFFFAOYSA-N
XLogP0.10
TPSA135.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54735119) is 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CNC(=O)c1ccoc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C.
What is the InChIKey of 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is DAGMRKDXVIZDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6/c1-17(2)16-20-11(12(22)15(25)21(16)5-7-27-17)14(24)19-8-10-9(4-6-26-10)13(23)18-3/h4,6,22H,5,7-8H2,1-3H3,(H,18,23)(H,19,24).
What are the key properties of 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9,9-dimethyl-N-[[3-(methylcarbamoyl)furan-2-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54735119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).