6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

C20H13BrF3N5O — CID 19148505

IUPAC6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc(C(F)(F)F)c2)ncnc1Oc1ccc(Br)c2cccnc12
InChIInChI=1S/C20H13BrF3N5O/c21-14-6-7-15(17-13(14)5-2-8-26-17)30-19-16(25)18(27-10-28-19)29-12-4-1-3-11(9-12)20(22,23)24/h1-10H,25H2,(H,27,28,29)
InChIKeyVPVNOJLNHRQSMF-UHFFFAOYSA-N
MW476.26 g/mol
LogP5.92
Rot. Bonds4

About 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine (PubChem CID 19148505) has the molecular formula C20H13BrF3N5O and a molecular weight of 476.26 g/mol. Its IUPAC name is 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
PubChem CID19148505
Molecular FormulaC20H13BrF3N5O
Molecular Weight476.26 g/mol
Exact Mass475.03
IUPAC Name6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc(C(F)(F)F)c2)ncnc1Oc1ccc(Br)c2cccnc12
InChIInChI=1S/C20H13BrF3N5O/c21-14-6-7-15(17-13(14)5-2-8-26-17)30-19-16(25)18(27-10-28-19)29-12-4-1-3-11(9-12)20(22,23)24/h1-10H,25H2,(H,27,28,29)
InChIKeyVPVNOJLNHRQSMF-UHFFFAOYSA-N
XLogP5.92
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.26
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22545032
6-(5-bromoquinolin-8-yl)oxy-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19148613
6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144661
2-methylpropyl 4-[[5-amino-6-(5-bromoquinolin-8-yl)oxypyrimidin-4-yl]amino]benzoate
CID 19149539
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
4-N-(1,3-benzothiazol-2-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19146006
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
6-(5-bromoquinolin-8-yl)oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidin-4-amine
CID 22537591
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 19152823
4-N-(3-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541507
6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19137011

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine (CID 19148505) is 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine is Nc1c(Nc2cccc(C(F)(F)F)c2)ncnc1Oc1ccc(Br)c2cccnc12.
What is the InChIKey of 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The InChIKey is VPVNOJLNHRQSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrF3N5O/c21-14-6-7-15(17-13(14)5-2-8-26-17)30-19-16(25)18(27-10-28-19)29-12-4-1-3-11(9-12)20(22,23)24/h1-10H,25H2,(H,27,28,29).
What are the key properties of 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine has a molecular weight of 476.26 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 19148505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).