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

C21H27FN4O6S — CID 69280205

IUPACN-[[2-(1,1-dihydroxythiazinan-2-yl)-3-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1cccc(F)c1N1CCCCS1(O)O)c(O)c2=O
InChIInChI=1S/C21H27FN4O6S/c1-21(2)20-24-15(17(27)19(29)25(20)9-10-32-21)18(28)23-12-13-6-5-7-14(22)16(13)26-8-3-4-11-33(26,30)31/h5-7,27,30-31H,3-4,8-12H2,1-2H3,(H,23,28)
InChIKeyLFKJCKCBIBCDQO-UHFFFAOYSA-N
MW482.53 g/mol
LogP2.55
Rot. Bonds4

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

N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 69280205) has the molecular formula C21H27FN4O6S and a molecular weight of 482.53 g/mol. Its IUPAC name is N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-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-(1,1-dihydroxythiazinan-2-yl)-3-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID69280205
Molecular FormulaC21H27FN4O6S
Molecular Weight482.53 g/mol
Exact Mass482.16
IUPAC NameN-[[2-(1,1-dihydroxythiazinan-2-yl)-3-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1cccc(F)c1N1CCCCS1(O)O)c(O)c2=O
InChIInChI=1S/C21H27FN4O6S/c1-21(2)20-24-15(17(27)19(29)25(20)9-10-32-21)18(28)23-12-13-6-5-7-14(22)16(13)26-8-3-4-11-33(26,30)31/h5-7,27,30-31H,3-4,8-12H2,1-2H3,(H,23,28)
InChIKeyLFKJCKCBIBCDQO-UHFFFAOYSA-N
XLogP2.55
TPSA137.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-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-[[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
N-[(2,3-dichlorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717543
N-[(1,1-dioxo-1-benzothiophen-7-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717464
N-(2,3-dihydro-1-benzothiophen-7-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 163547080
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
3-hydroxy-9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679969
3-hydroxy-9,9-dimethyl-N-[(3-methylphenyl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717539
N-[[2-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717512
3-hydroxy-9,9-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717556
N-[[2-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
CID 54683925
3-hydroxy-9,9-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54735149
N-[[2-(4-cyanophenyl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717491

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-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-(1,1-dihydroxythiazinan-2-yl)-3-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 69280205) is N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-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-(1,1-dihydroxythiazinan-2-yl)-3-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-(1,1-dihydroxythiazinan-2-yl)-3-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1(C)OCCn2c1nc(C(=O)NCc1cccc(F)c1N1CCCCS1(O)O)c(O)c2=O.
What is the InChIKey of N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is LFKJCKCBIBCDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O6S/c1-21(2)20-24-15(17(27)19(29)25(20)9-10-32-21)18(28)23-12-13-6-5-7-14(22)16(13)26-8-3-4-11-33(26,30)31/h5-7,27,30-31H,3-4,8-12H2,1-2H3,(H,23,28).
What are the key properties of N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-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 482.53 g/mol, XLogP of 2.55, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-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 69280205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).