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

C21H25FN4O6 — CID 54717441

IUPACN-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCN(C)C(=O)COc1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C21H25FN4O6/c1-21(2)20-24-16(17(28)19(30)26(20)7-8-32-21)18(29)23-10-12-5-6-13(22)9-14(12)31-11-15(27)25(3)4/h5-6,9,28H,7-8,10-11H2,1-4H3,(H,23,29)
InChIKeyMCZBOMFRMHBADZ-UHFFFAOYSA-N
MW448.45 g/mol
LogP0.75
Rot. Bonds6

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

N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717441) has the molecular formula C21H25FN4O6 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717441
Molecular FormulaC21H25FN4O6
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC NameN-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCN(C)C(=O)COc1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C21H25FN4O6/c1-21(2)20-24-16(17(28)19(30)26(20)7-8-32-21)18(29)23-10-12-5-6-13(22)9-14(12)31-11-15(27)25(3)4/h5-6,9,28H,7-8,10-11H2,1-4H3,(H,23,29)
InChIKeyMCZBOMFRMHBADZ-UHFFFAOYSA-N
XLogP0.75
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]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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Related Compounds

N-[[2-[3-(dimethylcarbamoyl)-1,2,4-triazol-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679975
N-[[2-(4-acetylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 58877951
N-[[4-fluoro-2-[3-[2-hydroxyethyl(methyl)carbamoyl]-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717415
methyl 2-[5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl]-5-methyl-1H-1,2,4-triazole-5-carboxylate
CID 143149757
N-[[4-fluoro-2-[3-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679989
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717405
N-[[2-[(2S)-2-ethyl-2-methyl-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 163673842
N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143149763
N-[(4-chloro-2-methylphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717588
N-[(3-fluoro-5-methylphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143477955
N-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717561
N-[[3-fluoro-2-(methylamino)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 71028459

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717441) is N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]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-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CN(C)C(=O)COc1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C.
What is the InChIKey of N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is MCZBOMFRMHBADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O6/c1-21(2)20-24-16(17(28)19(30)26(20)7-8-32-21)18(29)23-10-12-5-6-13(22)9-14(12)31-11-15(27)25(3)4/h5-6,9,28H,7-8,10-11H2,1-4H3,(H,23,29).
What are the key properties of N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).