6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine

C20H15BrClN5O — CID 19152823

IUPAC6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1Oc1ccc(Br)c2cccnc12
InChIInChI=1S/C20H15BrClN5O/c21-14-7-8-16(18-13(14)5-3-9-24-18)28-20-17(23)19(26-11-27-20)25-10-12-4-1-2-6-15(12)22/h1-9,11H,10,23H2,(H,25,26,27)
InChIKeyJVHZMQXZNJTNCO-UHFFFAOYSA-N
MW456.73 g/mol
LogP5.43
Rot. Bonds5

About 6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine

6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine (PubChem CID 19152823) has the molecular formula C20H15BrClN5O and a molecular weight of 456.73 g/mol. Its IUPAC name is 6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine
PubChem CID19152823
Molecular FormulaC20H15BrClN5O
Molecular Weight456.73 g/mol
Exact Mass455.01
IUPAC Name6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1Oc1ccc(Br)c2cccnc12
InChIInChI=1S/C20H15BrClN5O/c21-14-7-8-16(18-13(14)5-3-9-24-18)28-20-17(23)19(26-11-27-20)25-10-12-4-1-2-6-15(12)22/h1-9,11H,10,23H2,(H,25,26,27)
InChIKeyJVHZMQXZNJTNCO-UHFFFAOYSA-N
XLogP5.43
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.73
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22545032
4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19153291
6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144661
6-(5-bromoquinolin-8-yl)oxy-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19148613
4-N-(1,3-benzothiazol-2-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19146006
6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19137011
6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152879
N-[(2-chlorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 110432331
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506
6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148505
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine (CID 19152823) is 6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine is Nc1c(NCc2ccccc2Cl)ncnc1Oc1ccc(Br)c2cccnc12.
What is the InChIKey of 6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is JVHZMQXZNJTNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN5O/c21-14-7-8-16(18-13(14)5-3-9-24-18)28-20-17(23)19(26-11-27-20)25-10-12-4-1-2-6-15(12)22/h1-9,11H,10,23H2,(H,25,26,27).
What are the key properties of 6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine?
6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 456.73 g/mol, XLogP of 5.43, 5 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-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 19152823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).