4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine

C20H15ClFN5O — CID 19141993

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Oc3ncnc(Nc4ccc(F)c(Cl)c4)c3N)c2n1
InChIInChI=1S/C20H15ClFN5O/c1-11-5-6-12-3-2-4-16(18(12)26-11)28-20-17(23)19(24-10-25-20)27-13-7-8-15(22)14(21)9-13/h2-10H,23H2,1H3,(H,24,25,27)
InChIKeyWKPAAZOSWWIJPR-UHFFFAOYSA-N
MW395.83 g/mol
LogP5.24
Rot. Bonds4

About 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine

4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine (PubChem CID 19141993) has the molecular formula C20H15ClFN5O and a molecular weight of 395.83 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
PubChem CID19141993
Molecular FormulaC20H15ClFN5O
Molecular Weight395.83 g/mol
Exact Mass395.09
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Oc3ncnc(Nc4ccc(F)c(Cl)c4)c3N)c2n1
InChIInChI=1S/C20H15ClFN5O/c1-11-5-6-12-3-2-4-16(18(12)26-11)28-20-17(23)19(24-10-25-20)27-13-7-8-15(22)14(21)9-13/h2-10H,23H2,1H3,(H,24,25,27)
InChIKeyWKPAAZOSWWIJPR-UHFFFAOYSA-N
XLogP5.24
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.83
LogP ≤ 55.24
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
N-[4-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]phenyl]acetamide
CID 19141998
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 22541174
ethyl 3-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]benzoate
CID 19142000
4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141896
6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144805
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144885
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144945
4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546746
6-N-(3-chloro-4-fluorophenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153096

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine (CID 19141993) is 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine is Cc1ccc2cccc(Oc3ncnc(Nc4ccc(F)c(Cl)c4)c3N)c2n1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The InChIKey is WKPAAZOSWWIJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O/c1-11-5-6-12-3-2-4-16(18(12)26-11)28-20-17(23)19(24-10-25-20)27-13-7-8-15(22)14(21)9-13/h2-10H,23H2,1H3,(H,24,25,27).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine has a molecular weight of 395.83 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine is sourced from PubChem (CID 19141993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).