N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C20H23FN4O6 — CID 54717440

IUPACN-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCNC(=O)COc1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C20H23FN4O6/c1-20(2)19-24-15(16(27)18(29)25(19)6-7-31-20)17(28)23-9-11-4-5-12(21)8-13(11)30-10-14(26)22-3/h4-5,8,27H,6-7,9-10H2,1-3H3,(H,22,26)(H,23,28)
InChIKeyWEJFMLUOPORGPW-UHFFFAOYSA-N
MW434.42 g/mol
LogP0.41
Rot. Bonds6

About N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717440) has the molecular formula C20H23FN4O6 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717440
Molecular FormulaC20H23FN4O6
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCNC(=O)COc1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C20H23FN4O6/c1-20(2)19-24-15(16(27)18(29)25(19)6-7-31-20)17(28)23-9-11-4-5-12(21)8-13(11)30-10-14(26)22-3/h4-5,8,27H,6-7,9-10H2,1-3H3,(H,22,26)(H,23,28)
InChIKeyWEJFMLUOPORGPW-UHFFFAOYSA-N
XLogP0.41
TPSA131.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717440) is N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CNC(=O)COc1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C.
What is the InChIKey of N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is WEJFMLUOPORGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O6/c1-20(2)19-24-15(16(27)18(29)25(19)6-7-31-20)17(28)23-9-11-4-5-12(21)8-13(11)30-10-14(26)22-3/h4-5,8,27H,6-7,9-10H2,1-3H3,(H,22,26)(H,23,28).
What are the key properties of N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).