4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine

C19H14BrN5O — CID 19141774

IUPAC4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2Br)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C19H14BrN5O/c20-13-7-1-2-8-14(13)25-18-16(21)19(24-11-23-18)26-15-9-3-5-12-6-4-10-22-17(12)15/h1-11H,21H2,(H,23,24,25)
InChIKeyRAUDQTVSMIDGIV-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.91
Rot. Bonds4

About 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine

4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine (PubChem CID 19141774) has the molecular formula C19H14BrN5O and a molecular weight of 408.26 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
PubChem CID19141774
Molecular FormulaC19H14BrN5O
Molecular Weight408.26 g/mol
Exact Mass407.04
IUPAC Name4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2Br)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C19H14BrN5O/c20-13-7-1-2-8-14(13)25-18-16(21)19(24-11-23-18)26-15-9-3-5-12-6-4-10-22-17(12)15/h1-11H,21H2,(H,23,24,25)
InChIKeyRAUDQTVSMIDGIV-UHFFFAOYSA-N
XLogP4.91
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493822
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141766
4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141861
4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135970
4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135779
4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141836
6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144661
4-propan-2-yloxy-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141825
6-(5-bromoquinolin-8-yl)oxy-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19148613
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
CID 19141803
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19141820

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine (CID 19141774) is 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine is Nc1c(Nc2ccccc2Br)ncnc1Oc1cccc2cccnc12.
What is the InChIKey of 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The InChIKey is RAUDQTVSMIDGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O/c20-13-7-1-2-8-14(13)25-18-16(21)19(24-11-23-18)26-15-9-3-5-12-6-4-10-22-17(12)15/h1-11H,21H2,(H,23,24,25).
What are the key properties of 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine has a molecular weight of 408.26 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19141774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).