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

C21H25N7O2 — CID 118238307

IUPACN-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(C)C2(CCCC2)CO3)cnc1-n1cnc(C)c1
InChIInChI=1S/C21H25N7O2/c1-14-11-28(13-24-14)18-16(29-3)8-15(9-22-18)25-20-23-10-17-19(26-20)27(2)21(12-30-17)6-4-5-7-21/h8-11,13H,4-7,12H2,1-3H3,(H,23,25,26)
InChIKeyFKFQBXLXNCXNGA-UHFFFAOYSA-N
MW407.48 g/mol
LogP3.26
Rot. Bonds4

About 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

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 (PubChem CID 118238307) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
PubChem CID118238307
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(C)C2(CCCC2)CO3)cnc1-n1cnc(C)c1
InChIInChI=1S/C21H25N7O2/c1-14-11-28(13-24-14)18-16(29-3)8-15(9-22-18)25-20-23-10-17-19(26-20)27(2)21(12-30-17)6-4-5-7-21/h8-11,13H,4-7,12H2,1-3H3,(H,23,25,26)
InChIKeyFKFQBXLXNCXNGA-UHFFFAOYSA-N
XLogP3.26
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
CID 159982578
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
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
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
2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];methane;5-(4-methylimidazol-1-yl)pyridin-2-amine;8-methyl-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
CID 158107643
7-cyclobutyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123965914
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
7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123144528

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(Nc2ncc3c(n2)N(C)C2(CCCC2)CO3)cnc1-n1cnc(C)c1.
What is the InChIKey of 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?
The InChIKey is FKFQBXLXNCXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-14-11-28(13-24-14)18-16(29-3)8-15(9-22-18)25-20-23-10-17-19(26-20)27(2)21(12-30-17)6-4-5-7-21/h8-11,13H,4-7,12H2,1-3H3,(H,23,25,26).
What are the key properties of 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?
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 has a molecular weight of 407.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118238307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).