2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine

C14H12N4O — CID 116797777

IUPAC2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
SMILESCc1ccc2cccc(Oc3nccc(N)n3)c2n1
InChIInChI=1S/C14H12N4O/c1-9-5-6-10-3-2-4-11(13(10)17-9)19-14-16-8-7-12(15)18-14/h2-8H,1H3,(H2,15,16,18)
InChIKeyOFOZPTOKMBSYMT-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.71
Rot. Bonds2

About 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine

2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine (PubChem CID 116797777) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
PubChem CID116797777
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
SMILESCc1ccc2cccc(Oc3nccc(N)n3)c2n1
InChIInChI=1S/C14H12N4O/c1-9-5-6-10-3-2-4-11(13(10)17-9)19-14-16-8-7-12(15)18-14/h2-8H,1H3,(H2,15,16,18)
InChIKeyOFOZPTOKMBSYMT-UHFFFAOYSA-N
XLogP2.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine?
The IUPAC name of 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine (CID 116797777) is 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine?
The canonical SMILES for 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine is Cc1ccc2cccc(Oc3nccc(N)n3)c2n1.
What is the InChIKey of 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine?
The InChIKey is OFOZPTOKMBSYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-5-6-10-3-2-4-11(13(10)17-9)19-14-16-8-7-12(15)18-14/h2-8H,1H3,(H2,15,16,18).
What are the key properties of 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine?
2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine has a molecular weight of 252.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 116797777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).