4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine

C26H28N6O — CID 19142003

IUPAC4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
SMILESCc1ccc2cccc(Oc3ncnc(N4CCN(c5cccc(C)c5C)CC4)c3N)c2n1
InChIInChI=1S/C26H28N6O/c1-17-6-4-8-21(19(17)3)31-12-14-32(15-13-31)25-23(27)26(29-16-28-25)33-22-9-5-7-20-11-10-18(2)30-24(20)22/h4-11,16H,12-15,27H2,1-3H3
InChIKeyYCUAWTROLUZQQJ-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.65
Rot. Bonds4

About 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine (PubChem CID 19142003) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
PubChem CID19142003
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
SMILESCc1ccc2cccc(Oc3ncnc(N4CCN(c5cccc(C)c5C)CC4)c3N)c2n1
InChIInChI=1S/C26H28N6O/c1-17-6-4-8-21(19(17)3)31-12-14-32(15-13-31)25-23(27)26(29-16-28-25)33-22-9-5-7-20-11-10-18(2)30-24(20)22/h4-11,16H,12-15,27H2,1-3H3
InChIKeyYCUAWTROLUZQQJ-UHFFFAOYSA-N
XLogP4.65
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-2-methylquinoline
CID 23494065
4-(2-methylquinolin-8-yl)oxy-6-morpholin-4-ylpyrimidin-5-amine
CID 19137637
4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19142004
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
8-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-2-methylquinoline
CID 23494068
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine
CID 22527458
4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22540364
8-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-2-methylquinoline
CID 23491526
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142625

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine (CID 19142003) is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine is Cc1ccc2cccc(Oc3ncnc(N4CCN(c5cccc(C)c5C)CC4)c3N)c2n1.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
The InChIKey is YCUAWTROLUZQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-17-6-4-8-21(19(17)3)31-12-14-32(15-13-31)25-23(27)26(29-16-28-25)33-22-9-5-7-20-11-10-18(2)30-24(20)22/h4-11,16H,12-15,27H2,1-3H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine has a molecular weight of 440.55 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine is sourced from PubChem (CID 19142003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).