[5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate

C20H23FN4O6 — CID 54717439

IUPAC[5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C20H23FN4O6/c1-20(2)18-23-14(15(26)17(28)25(18)7-8-30-20)16(27)22-10-11-5-6-12(21)9-13(11)31-19(29)24(3)4/h5-6,9,26H,7-8,10H2,1-4H3,(H,22,27)
InChIKeyIRBIBFQHJNBUEY-UHFFFAOYSA-N
MW434.42 g/mol
LogP1.34
Rot. Bonds4

About [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate

[5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate (PubChem CID 54717439) has the molecular formula C20H23FN4O6 and a molecular weight of 434.42 g/mol. Its IUPAC name is [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate
PubChem CID54717439
Molecular FormulaC20H23FN4O6
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC Name[5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C20H23FN4O6/c1-20(2)18-23-14(15(26)17(28)25(18)7-8-30-20)16(27)22-10-11-5-6-12(21)9-13(11)31-19(29)24(3)4/h5-6,9,26H,7-8,10H2,1-4H3,(H,22,27)
InChIKeyIRBIBFQHJNBUEY-UHFFFAOYSA-N
XLogP1.34
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate (CID 54717439) is [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C.
What is the InChIKey of [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is IRBIBFQHJNBUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O6/c1-20(2)18-23-14(15(26)17(28)25(18)7-8-30-20)16(27)22-10-11-5-6-12(21)9-13(11)31-19(29)24(3)4/h5-6,9,26H,7-8,10H2,1-4H3,(H,22,27).
What are the key properties of [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate?
[5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 434.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 54717439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).