5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine

C22H20BrN5O2 — CID 168966518

IUPAC5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine
SMILESCOc1nc(NC(C)C)ncc1-c1ccc2cc(Oc3ccnc(Br)c3)ccc2n1
InChIInChI=1S/C22H20BrN5O2/c1-13(2)26-22-25-12-17(21(28-22)29-3)19-6-4-14-10-15(5-7-18(14)27-19)30-16-8-9-24-20(23)11-16/h4-13H,1-3H3,(H,25,26,28)
InChIKeyYMVVPKZVWFGAGL-UHFFFAOYSA-N
MW466.34 g/mol
LogP5.47
Rot. Bonds6

About 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine

5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine (PubChem CID 168966518) has the molecular formula C22H20BrN5O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine
PubChem CID168966518
Molecular FormulaC22H20BrN5O2
Molecular Weight466.34 g/mol
Exact Mass465.08
IUPAC Name5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine
SMILESCOc1nc(NC(C)C)ncc1-c1ccc2cc(Oc3ccnc(Br)c3)ccc2n1
InChIInChI=1S/C22H20BrN5O2/c1-13(2)26-22-25-12-17(21(28-22)29-3)19-6-4-14-10-15(5-7-18(14)27-19)30-16-8-9-24-20(23)11-16/h4-13H,1-3H3,(H,25,26,28)
InChIKeyYMVVPKZVWFGAGL-UHFFFAOYSA-N
XLogP5.47
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine with MolForge

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Related Compounds

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N-(3-bromophenyl)-6-methoxyquinazolin-4-amine
CID 5328043
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-6-yloxy)pyrimidin-4-amine
CID 23644667
6-Methoxy-7-[2-(Quinolin-2-Yl)ethoxy]quinazoline
CID 24945787
2-(5-Bromopyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 44236927
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
CID 5329485
4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328088
6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748083
N-(2-((dimethylamino)methyl)-4-(3-(piperidin-1-yl)propoxy)phenyl)quinazolin-4-amine
CID 23628252
6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 162646571

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine (CID 168966518) is 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine is COc1nc(NC(C)C)ncc1-c1ccc2cc(Oc3ccnc(Br)c3)ccc2n1.
What is the InChIKey of 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is YMVVPKZVWFGAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O2/c1-13(2)26-22-25-12-17(21(28-22)29-3)19-6-4-14-10-15(5-7-18(14)27-19)30-16-8-9-24-20(23)11-16/h4-13H,1-3H3,(H,25,26,28).
What are the key properties of 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine?
5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 466.34 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 168966518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).