N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine

C22H24F3N7O3 — CID 130455672

IUPACN-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(CC(F)(F)F)C2(CCOCC2)CO3)cnc1-n1cnc(C)c1
InChIInChI=1S/C22H24F3N7O3/c1-14-10-31(13-28-14)18-16(33-2)7-15(8-26-18)29-20-27-9-17-19(30-20)32(11-22(23,24)25)21(12-35-17)3-5-34-6-4-21/h7-10,13H,3-6,11-12H2,1-2H3,(H,27,29,30)
InChIKeyUJGZZPPAYGJIAX-UHFFFAOYSA-N
MW491.47 g/mol
LogP3.43
Rot. Bonds5

About N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine

N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine (PubChem CID 130455672) has the molecular formula C22H24F3N7O3 and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine.

Molecular Properties

Compound NameN-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine
PubChem CID130455672
Molecular FormulaC22H24F3N7O3
Molecular Weight491.47 g/mol
Exact Mass491.19
IUPAC NameN-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(CC(F)(F)F)C2(CCOCC2)CO3)cnc1-n1cnc(C)c1
InChIInChI=1S/C22H24F3N7O3/c1-14-10-31(13-28-14)18-16(33-2)7-15(8-26-18)29-20-27-9-17-19(30-20)32(11-22(23,24)25)21(12-35-17)3-5-34-6-4-21/h7-10,13H,3-6,11-12H2,1-2H3,(H,27,29,30)
InChIKeyUJGZZPPAYGJIAX-UHFFFAOYSA-N
XLogP3.43
TPSA99.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
CID 118238307
8-(2,2-difluoropropyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen;hydroiodide
CID 144890231
cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890322
7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123938484
7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 126569337
7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246285
8-[4-fluoro-2-(trifluoromethoxy)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050548
7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246102
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144841197
8-(2-cyclopropyl-4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118051900
benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890338
2-chloro-7,7,8-trimethyl-6H-pyrimido[5,4-b][1,4]oxazine;3-methoxy-4-(4-methylimidazol-1-yl)aniline;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,7,8-trimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
CID 158772352

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine?
The IUPAC name of N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine (CID 130455672) is N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine.
What is the SMILES notation for N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine?
The canonical SMILES for N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine is COc1cc(Nc2ncc3c(n2)N(CC(F)(F)F)C2(CCOCC2)CO3)cnc1-n1cnc(C)c1.
What is the InChIKey of N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine?
The InChIKey is UJGZZPPAYGJIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O3/c1-14-10-31(13-28-14)18-16(33-2)7-15(8-26-18)29-20-27-9-17-19(30-20)32(11-22(23,24)25)21(12-35-17)3-5-34-6-4-21/h7-10,13H,3-6,11-12H2,1-2H3,(H,27,29,30).
What are the key properties of N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine?
N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine has a molecular weight of 491.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine is sourced from PubChem (CID 130455672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).