6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine

C19H15BrN6 — CID 19144751

IUPAC6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Br)cc2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C19H15BrN6/c20-13-6-8-14(9-7-13)25-18-16(21)19(24-11-23-18)26-15-5-1-3-12-4-2-10-22-17(12)15/h1-11H,21H2,(H2,23,24,25,26)
InChIKeyKKZAWQGTMHYJDQ-UHFFFAOYSA-N
MW407.28 g/mol
LogP4.86
Rot. Bonds4

About 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine

6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine (PubChem CID 19144751) has the molecular formula C19H15BrN6 and a molecular weight of 407.28 g/mol. Its IUPAC name is 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
PubChem CID19144751
Molecular FormulaC19H15BrN6
Molecular Weight407.28 g/mol
Exact Mass406.05
IUPAC Name6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Br)cc2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C19H15BrN6/c20-13-6-8-14(9-7-13)25-18-16(21)19(24-11-23-18)26-15-5-1-3-12-4-2-10-22-17(12)15/h1-11H,21H2,(H2,23,24,25,26)
InChIKeyKKZAWQGTMHYJDQ-UHFFFAOYSA-N
XLogP4.86
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144805
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144804
6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19137290
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144759
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine
CID 19152998

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine (CID 19144751) is 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1cccc2cccnc12.
What is the InChIKey of 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The InChIKey is KKZAWQGTMHYJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6/c20-13-6-8-14(9-7-13)25-18-16(21)19(24-11-23-18)26-15-5-1-3-12-4-2-10-22-17(12)15/h1-11H,21H2,(H2,23,24,25,26).
What are the key properties of 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine has a molecular weight of 407.28 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).