4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine

C20H23N5O — CID 19139925

IUPAC4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
SMILESCc1ccc2cccc(Oc3ncnc(N4CCCC(C)C4)c3N)c2n1
InChIInChI=1S/C20H23N5O/c1-13-5-4-10-25(11-13)19-17(21)20(23-12-22-19)26-16-7-3-6-15-9-8-14(2)24-18(15)16/h3,6-9,12-13H,4-5,10-11,21H2,1-2H3
InChIKeyZZLIRZQJIKEOOA-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.94
Rot. Bonds3

About 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine

4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine (PubChem CID 19139925) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
PubChem CID19139925
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
SMILESCc1ccc2cccc(Oc3ncnc(N4CCCC(C)C4)c3N)c2n1
InChIInChI=1S/C20H23N5O/c1-13-5-4-10-25(11-13)19-17(21)20(23-12-22-19)26-16-7-3-6-15-9-8-14(2)24-18(15)16/h3,6-9,12-13H,4-5,10-11,21H2,1-2H3
InChIKeyZZLIRZQJIKEOOA-UHFFFAOYSA-N
XLogP3.94
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine (CID 19139925) is 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine is Cc1ccc2cccc(Oc3ncnc(N4CCCC(C)C4)c3N)c2n1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
The InChIKey is ZZLIRZQJIKEOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-5-4-10-25(11-13)19-17(21)20(23-12-22-19)26-16-7-3-6-15-9-8-14(2)24-18(15)16/h3,6-9,12-13H,4-5,10-11,21H2,1-2H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine has a molecular weight of 349.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine is sourced from PubChem (CID 19139925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).