1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea

C23H24FN7O6 — CID 71045269

IUPAC1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(N(C(N)=O)c2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC
InChIInChI=1S/C23H24FN7O6/c1-23(2)20(32)29-19-13(37-23)6-7-16(28-19)27-18-12(24)10-26-22(30-18)31(21(25)33)11-8-14(34-3)17(36-5)15(9-11)35-4/h6-10H,1-5H3,(H2,25,33)(H2,26,27,28,29,30,32)
InChIKeyGUSOGVKEVCGGHZ-UHFFFAOYSA-N
MW513.49 g/mol
LogP3.11
Rot. Bonds7

About 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea

1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea (PubChem CID 71045269) has the molecular formula C23H24FN7O6 and a molecular weight of 513.49 g/mol. Its IUPAC name is 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea
PubChem CID71045269
Molecular FormulaC23H24FN7O6
Molecular Weight513.49 g/mol
Exact Mass513.18
IUPAC Name1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(N(C(N)=O)c2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC
InChIInChI=1S/C23H24FN7O6/c1-23(2)20(32)29-19-13(37-23)6-7-16(28-19)27-18-12(24)10-26-22(30-18)31(21(25)33)11-8-14(34-3)17(36-5)15(9-11)35-4/h6-10H,1-5H3,(H2,25,33)(H2,26,27,28,29,30,32)
InChIKeyGUSOGVKEVCGGHZ-UHFFFAOYSA-N
XLogP3.11
TPSA163.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.49
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea with MolForge

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Launch Full Analysis

Related Compounds

6-[[5-fluoro-2-[N-[(5-hydroxy-2,5-dimethylhexan-2-yl)oxyphosphanyloxymethyl]-3,4,5-trimethoxyanilino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156638613
1-chloroethyl carbonochloridate;bis(1-chloroethyl N-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-N-(3,4,5-trimethoxyphenyl)carbamate);N-ethyl-N-propan-2-ylpropan-2-amine;methane;1-pyridin-1-ium-1-ylethyl N-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-N-(3,4,5-trimethoxyphenyl)carbamate;iodide
CID 162161224
6-[[5-ethyl-3-fluoro-6-(3,4,5-trimethoxyanilino)-2-pyridinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 123706585
6-[[5-fluoro-2-[4-methoxy-3-methyl-5-(trideuteriomethoxy)anilino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 58109009
7,8-dideuterio-6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 53372272
7-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]spiro[2,5-dihydropyrido[3,2-b][1,4]oxazepine-3,1'-cyclopropane]-4-one
CID 123665831
6-[[5-fluoro-2-[(5-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 53477301
6-[[6-deuterio-5-fluoro-2-[3,4,5-tris(trideuteriomethoxy)anilino]pyrimidin-4-yl]amino]-2,2-bis(trideuteriomethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 53372534
carbanylium;ditert-butyl chloromethyl phosphate;ditert-butyl (N-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-3,4,5-trimethoxyanilino)methyl phosphate;ditert-butyl [(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]methyl phosphate;ditert-butyl [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 165056999
[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphite
CID 134377958
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4-(phosphanylmethyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 143265872
6-[[2-[4-(4-aminopiperidin-1-yl)anilino]-5-fluoropyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 53476270

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea (CID 71045269) is 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea is COc1cc(N(C(N)=O)c2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC.
What is the InChIKey of 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is GUSOGVKEVCGGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O6/c1-23(2)20(32)29-19-13(37-23)6-7-16(28-19)27-18-12(24)10-26-22(30-18)31(21(25)33)11-8-14(34-3)17(36-5)15(9-11)35-4/h6-10H,1-5H3,(H2,25,33)(H2,26,27,28,29,30,32).
What are the key properties of 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea?
1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 513.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]-1-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 71045269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).