6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine

C21H26N6O2 — CID 19141900

IUPAC6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Oc3ncnc(NCCCN4CCOCC4)c3N)c2n1
InChIInChI=1S/C21H26N6O2/c1-15-6-7-16-4-2-5-17(19(16)26-15)29-21-18(22)20(24-14-25-21)23-8-3-9-27-10-12-28-13-11-27/h2,4-7,14H,3,8-13,22H2,1H3,(H,23,24,25)
InChIKeyUZSZRHJGQRZEQA-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.84
Rot. Bonds7

About 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine

6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine (PubChem CID 19141900) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine
PubChem CID19141900
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Oc3ncnc(NCCCN4CCOCC4)c3N)c2n1
InChIInChI=1S/C21H26N6O2/c1-15-6-7-16-4-2-5-17(19(16)26-15)29-21-18(22)20(24-14-25-21)23-8-3-9-27-10-12-28-13-11-27/h2,4-7,14H,3,8-13,22H2,1H3,(H,23,24,25)
InChIKeyUZSZRHJGQRZEQA-UHFFFAOYSA-N
XLogP2.84
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-methylquinolin-8-yl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19144965
4-(2-methylquinolin-8-yl)oxy-6-morpholin-4-ylpyrimidin-5-amine
CID 19137637
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144827
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143987
4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141897
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152522
4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141896
N-[4-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]phenyl]acetamide
CID 19141998

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine (CID 19141900) is 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine is Cc1ccc2cccc(Oc3ncnc(NCCCN4CCOCC4)c3N)c2n1.
What is the InChIKey of 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine?
The InChIKey is UZSZRHJGQRZEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-6-7-16-4-2-5-17(19(16)26-15)29-21-18(22)20(24-14-25-21)23-8-3-9-27-10-12-28-13-11-27/h2,4-7,14H,3,8-13,22H2,1H3,(H,23,24,25).
What are the key properties of 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine?
6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine has a molecular weight of 394.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19141900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).