4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine

C23H21N5O — CID 19141927

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
SMILESCc1ccc2cccc(Oc3ncnc(N4CCc5ccccc5C4)c3N)c2n1
InChIInChI=1S/C23H21N5O/c1-15-9-10-17-7-4-8-19(21(17)27-15)29-23-20(24)22(25-14-26-23)28-12-11-16-5-2-3-6-18(16)13-28/h2-10,14H,11-13,24H2,1H3
InChIKeyNOHFWGUGONLPPD-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.27
Rot. Bonds3

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine (PubChem CID 19141927) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
PubChem CID19141927
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
SMILESCc1ccc2cccc(Oc3ncnc(N4CCc5ccccc5C4)c3N)c2n1
InChIInChI=1S/C23H21N5O/c1-15-9-10-17-7-4-8-19(21(17)27-15)29-23-20(24)22(25-14-26-23)28-12-11-16-5-2-3-6-18(16)13-28/h2-10,14H,11-13,24H2,1H3
InChIKeyNOHFWGUGONLPPD-UHFFFAOYSA-N
XLogP4.27
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142003
4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19139925
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
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
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19135043
8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-2-methylquinoline
CID 23494065
2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 19141249

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine (CID 19141927) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine is Cc1ccc2cccc(Oc3ncnc(N4CCc5ccccc5C4)c3N)c2n1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
The InChIKey is NOHFWGUGONLPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15-9-10-17-7-4-8-19(21(17)27-15)29-23-20(24)22(25-14-26-23)28-12-11-16-5-2-3-6-18(16)13-28/h2-10,14H,11-13,24H2,1H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine has a molecular weight of 383.46 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine is sourced from PubChem (CID 19141927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).