5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine

C15H13BrN4O — CID 66297765

IUPAC5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine
SMILESCOCc1nc(-c2ccnc3ccccc23)nc(N)c1Br
InChIInChI=1S/C15H13BrN4O/c1-21-8-12-13(16)14(17)20-15(19-12)10-6-7-18-11-5-3-2-4-9(10)11/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyLGVATBBAYZDWHT-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.18
Rot. Bonds3

About 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine (PubChem CID 66297765) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine
PubChem CID66297765
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine
SMILESCOCc1nc(-c2ccnc3ccccc23)nc(N)c1Br
InChIInChI=1S/C15H13BrN4O/c1-21-8-12-13(16)14(17)20-15(19-12)10-6-7-18-11-5-3-2-4-9(10)11/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyLGVATBBAYZDWHT-UHFFFAOYSA-N
XLogP3.18
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine (CID 66297765) is 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine is COCc1nc(-c2ccnc3ccccc23)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine?
The InChIKey is LGVATBBAYZDWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-21-8-12-13(16)14(17)20-15(19-12)10-6-7-18-11-5-3-2-4-9(10)11/h2-7H,8H2,1H3,(H2,17,19,20).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine has a molecular weight of 345.20 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 66297765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).