N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine

C25H28N6O2 — CID 144890284

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(NC2=NC3(C)C(=CN2)OCC(c2ccccc2)N3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H28N6O2/c1-17-14-31(16-27-17)20-11-10-19(12-22(20)32-4)28-24-26-13-23-25(2,29-24)30(3)21(15-33-23)18-8-6-5-7-9-18/h5-14,16,21H,15H2,1-4H3,(H2,26,28,29)
InChIKeyQEFPTLOVOCMYSY-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.82
Rot. Bonds4

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 144890284) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID144890284
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(NC2=NC3(C)C(=CN2)OCC(c2ccccc2)N3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H28N6O2/c1-17-14-31(16-27-17)20-11-10-19(12-22(20)32-4)28-24-26-13-23-25(2,29-24)30(3)21(15-33-23)18-8-6-5-7-9-18/h5-14,16,21H,15H2,1-4H3,(H2,26,28,29)
InChIKeyQEFPTLOVOCMYSY-UHFFFAOYSA-N
XLogP3.82
TPSA75.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

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Related Compounds

7-(3,5-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118238186
(7R)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-(phenoxymethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246283
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118238059
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
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
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
6-(2-fluoroethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-amine
CID 75288703
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine
CID 42632668
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
(5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine
CID 141128948
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-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine (CID 144890284) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(NC2=NC3(C)C(=CN2)OCC(c2ccccc2)N3C)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is QEFPTLOVOCMYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-17-14-31(16-27-17)20-11-10-19(12-22(20)32-4)28-24-26-13-23-25(2,29-24)30(3)21(15-33-23)18-8-6-5-7-9-18/h5-14,16,21H,15H2,1-4H3,(H2,26,28,29).
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 444.54 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8,8a-dimethyl-7-phenyl-6,7-dihydro-3H-pyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 144890284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).