4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine

C23H23N7O — CID 19142004

IUPAC4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
SMILESCc1ccc2cccc(Oc3ncnc(N4CCN(c5ccccn5)CC4)c3N)c2n1
InChIInChI=1S/C23H23N7O/c1-16-8-9-17-5-4-6-18(21(17)28-16)31-23-20(24)22(26-15-27-23)30-13-11-29(12-14-30)19-7-2-3-10-25-19/h2-10,15H,11-14,24H2,1H3
InChIKeyQDGKDULCLHIFBW-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.43
Rot. Bonds4

About 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine

4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19142004) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19142004
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
SMILESCc1ccc2cccc(Oc3ncnc(N4CCN(c5ccccn5)CC4)c3N)c2n1
InChIInChI=1S/C23H23N7O/c1-16-8-9-17-5-4-6-18(21(17)28-16)31-23-20(24)22(26-15-27-23)30-13-11-29(12-14-30)19-7-2-3-10-25-19/h2-10,15H,11-14,24H2,1H3
InChIKeyQDGKDULCLHIFBW-UHFFFAOYSA-N
XLogP3.43
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-methylquinolin-8-yl)oxy-6-morpholin-4-ylpyrimidin-5-amine
CID 19137637
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142003
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19141927
4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19139925
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19137203
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
8-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-2-methylquinoline
CID 23494068
8-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-2-methylquinoline
CID 23491526
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine (CID 19142004) is 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine is Cc1ccc2cccc(Oc3ncnc(N4CCN(c5ccccn5)CC4)c3N)c2n1.
What is the InChIKey of 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is QDGKDULCLHIFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-16-8-9-17-5-4-6-18(21(17)28-16)31-23-20(24)22(26-15-27-23)30-13-11-29(12-14-30)19-7-2-3-10-25-19/h2-10,15H,11-14,24H2,1H3.
What are the key properties of 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 413.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19142004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).