6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine

C19H15BrN6O — CID 19144661

IUPAC6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1cccnc1Nc1ncnc(Oc2ccc(Br)c3cccnc23)c1N
InChIInChI=1S/C19H15BrN6O/c1-11-4-2-9-23-17(11)26-18-15(21)19(25-10-24-18)27-14-7-6-13(20)12-5-3-8-22-16(12)14/h2-10H,21H2,1H3,(H,23,24,25,26)
InChIKeyWJRZGOBXJRBSPO-UHFFFAOYSA-N
MW423.27 g/mol
LogP4.61
Rot. Bonds4

About 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine

6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine (PubChem CID 19144661) has the molecular formula C19H15BrN6O and a molecular weight of 423.27 g/mol. Its IUPAC name is 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
PubChem CID19144661
Molecular FormulaC19H15BrN6O
Molecular Weight423.27 g/mol
Exact Mass422.05
IUPAC Name6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1cccnc1Nc1ncnc(Oc2ccc(Br)c3cccnc23)c1N
InChIInChI=1S/C19H15BrN6O/c1-11-4-2-9-23-17(11)26-18-15(21)19(25-10-24-18)27-14-7-6-13(20)12-5-3-8-22-16(12)14/h2-10H,21H2,1H3,(H,23,24,25,26)
InChIKeyWJRZGOBXJRBSPO-UHFFFAOYSA-N
XLogP4.61
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(5-bromoquinolin-8-yl)oxy-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19148613
6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22545032
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-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148505
6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144708
4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19152831
6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 19152823
6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19137011
2-methylpropyl 4-[[5-amino-6-(5-bromoquinolin-8-yl)oxypyrimidin-4-yl]amino]benzoate
CID 19149539
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144668
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine (CID 19144661) is 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine is Cc1cccnc1Nc1ncnc(Oc2ccc(Br)c3cccnc23)c1N.
What is the InChIKey of 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The InChIKey is WJRZGOBXJRBSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6O/c1-11-4-2-9-23-17(11)26-18-15(21)19(25-10-24-18)27-14-7-6-13(20)12-5-3-8-22-16(12)14/h2-10H,21H2,1H3,(H,23,24,25,26).
What are the key properties of 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine has a molecular weight of 423.27 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19144661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).