4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine

C13H11N5O — CID 116645315

IUPAC4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C13H11N5O/c1-19-13-17-11(16-12(14)18-13)10-7-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H2,14,16,17,18)
InChIKeyBOMKCJILZOZALH-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.68
Rot. Bonds2

About 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine

4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine (PubChem CID 116645315) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine
PubChem CID116645315
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C13H11N5O/c1-19-13-17-11(16-12(14)18-13)10-7-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H2,14,16,17,18)
InChIKeyBOMKCJILZOZALH-UHFFFAOYSA-N
XLogP1.68
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 115503747
6-(methoxymethyl)-2-quinolin-2-ylpyrimidin-4-amine
CID 63222645
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 116645207
4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride
CID 175949920
4-methoxy-6-quinolin-8-yl-1,3,5-triazin-2-amine
CID 81221199
5-ethyl-6-methyl-2-quinolin-2-ylpyrimidin-4-amine
CID 63222321
5-quinolin-2-ylpyrimidin-2-amine
CID 112694944
5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
CID 66306932
4-methoxy-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80869201
5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine
CID 66303348
2-[3-methoxy-2-(2-methoxy-6-methylphenyl)phenyl]quinoline
CID 23528867
2-methoxyquinazoline
CID 594801

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine (CID 116645315) is 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine is COc1nc(N)nc(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine?
The InChIKey is BOMKCJILZOZALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-19-13-17-11(16-12(14)18-13)10-7-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H2,14,16,17,18).
What are the key properties of 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine?
4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine has a molecular weight of 253.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 116645315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).