N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C23H22N6O2 — CID 118051801

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(c2ccccc2)CCO3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22N6O2/c1-16-14-28(15-25-16)19-9-8-17(12-20(19)30-2)26-23-24-13-21-22(27-23)29(10-11-31-21)18-6-4-3-5-7-18/h3-9,12-15H,10-11H2,1-2H3,(H,24,26,27)
InChIKeyWGYODUNOOJDBON-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.25
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118051801) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118051801
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(c2ccccc2)CCO3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22N6O2/c1-16-14-28(15-25-16)19-9-8-17(12-20(19)30-2)26-23-24-13-21-22(27-23)29(10-11-31-21)18-6-4-3-5-7-18/h3-9,12-15H,10-11H2,1-2H3,(H,24,26,27)
InChIKeyWGYODUNOOJDBON-UHFFFAOYSA-N
XLogP4.25
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118051801) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(Nc2ncc3c(n2)N(c2ccccc2)CCO3)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is WGYODUNOOJDBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-14-28(15-25-16)19-9-8-17(12-20(19)30-2)26-23-24-13-21-22(27-23)29(10-11-31-21)18-6-4-3-5-7-18/h3-9,12-15H,10-11H2,1-2H3,(H,24,26,27).
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 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-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118051801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).