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

C20H16BrN5O — CID 19141939

IUPAC4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Oc3ncnc(Nc4ccc(Br)cc4)c3N)c2n1
InChIInChI=1S/C20H16BrN5O/c1-12-5-6-13-3-2-4-16(18(13)25-12)27-20-17(22)19(23-11-24-20)26-15-9-7-14(21)8-10-15/h2-11H,22H2,1H3,(H,23,24,26)
InChIKeyGSNUURVPKNVFDE-UHFFFAOYSA-N
MW422.29 g/mol
LogP5.21
Rot. Bonds4

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

4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine (PubChem CID 19141939) has the molecular formula C20H16BrN5O and a molecular weight of 422.29 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
PubChem CID19141939
Molecular FormulaC20H16BrN5O
Molecular Weight422.29 g/mol
Exact Mass421.05
IUPAC Name4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Oc3ncnc(Nc4ccc(Br)cc4)c3N)c2n1
InChIInChI=1S/C20H16BrN5O/c1-12-5-6-13-3-2-4-16(18(13)25-12)27-20-17(22)19(23-11-24-20)26-15-9-7-14(21)8-10-15/h2-11H,22H2,1H3,(H,23,24,26)
InChIKeyGSNUURVPKNVFDE-UHFFFAOYSA-N
XLogP5.21
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.29
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]phenyl]acetamide
CID 19141998
4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541455
4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141993
4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141896
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
ethyl 3-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]benzoate
CID 19142000
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 22541174
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141897
N-(3-bromophenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23494053

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine (CID 19141939) is 4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine is Cc1ccc2cccc(Oc3ncnc(Nc4ccc(Br)cc4)c3N)c2n1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
The InChIKey is GSNUURVPKNVFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O/c1-12-5-6-13-3-2-4-16(18(13)25-12)27-20-17(22)19(23-11-24-20)26-15-9-7-14(21)8-10-15/h2-11H,22H2,1H3,(H,23,24,26).
What are the key properties of 4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine?
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine has a molecular weight of 422.29 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine is sourced from PubChem (CID 19141939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).