4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine

C22H21N5O — CID 19141896

IUPAC4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc34)c2N)c(C)c1
InChIInChI=1S/C22H21N5O/c1-13-7-10-17(14(2)11-13)27-21-19(23)22(25-12-24-21)28-18-6-4-5-16-9-8-15(3)26-20(16)18/h4-12H,23H2,1-3H3,(H,24,25,27)
InChIKeyIEJJYNULNCRURR-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.07
Rot. Bonds4

About 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine

4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine (PubChem CID 19141896) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
PubChem CID19141896
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc34)c2N)c(C)c1
InChIInChI=1S/C22H21N5O/c1-13-7-10-17(14(2)11-13)27-21-19(23)22(25-12-24-21)28-18-6-4-5-16-9-8-15(3)26-20(16)18/h4-12H,23H2,1-3H3,(H,24,25,27)
InChIKeyIEJJYNULNCRURR-UHFFFAOYSA-N
XLogP5.07
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 22541174
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144945
6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 22540722
N-[4-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]phenyl]acetamide
CID 19141998
4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141993
ethyl 3-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]benzoate
CID 19142000
4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19144947
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141897
4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
CID 19143332

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine (CID 19141896) is 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine is Cc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc34)c2N)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The InChIKey is IEJJYNULNCRURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-13-7-10-17(14(2)11-13)27-21-19(23)22(25-12-24-21)28-18-6-4-5-16-9-8-15(3)26-20(16)18/h4-12H,23H2,1-3H3,(H,24,25,27).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine has a molecular weight of 371.44 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine is sourced from PubChem (CID 19141896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).