4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine

C15H14BrN5 — CID 116785861

IUPAC4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2cccc3cc(Br)cnc23)n1
InChIInChI=1S/C15H14BrN5/c1-2-13-20-12(17)7-14(21-13)19-11-5-3-4-9-6-10(16)8-18-15(9)11/h3-8H,2H2,1H3,(H3,17,19,20,21)
InChIKeyOLXQDRNUMHULFN-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.68
Rot. Bonds3

About 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine

4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 116785861) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine
PubChem CID116785861
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2cccc3cc(Br)cnc23)n1
InChIInChI=1S/C15H14BrN5/c1-2-13-20-12(17)7-14(21-13)19-11-5-3-4-9-6-10(16)8-18-15(9)11/h3-8H,2H2,1H3,(H3,17,19,20,21)
InChIKeyOLXQDRNUMHULFN-UHFFFAOYSA-N
XLogP3.68
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 81289211
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine
CID 116783110
4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934075
3-bromo-N-phenylquinolin-8-amine
CID 86754991
1-N-(3-bromoquinolin-8-yl)-4-methylbenzene-1,3-diamine
CID 116783104
4-N-(3-bromoquinolin-8-yl)pyrimidine-4,5-diamine
CID 116783115
5-[(3-bromoquinolin-8-yl)amino]pyrazine-2-carbothioamide
CID 116784609
2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
CID 116783708
2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine
CID 116783085
2-ethyl-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908806
4-bromo-1-N-(3-bromoquinolin-8-yl)-5-fluorobenzene-1,2-diamine
CID 116783114

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine (CID 116785861) is 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(Nc2cccc3cc(Br)cnc23)n1.
What is the InChIKey of 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is OLXQDRNUMHULFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-2-13-20-12(17)7-14(21-13)19-11-5-3-4-9-6-10(16)8-18-15(9)11/h3-8H,2H2,1H3,(H3,17,19,20,21).
What are the key properties of 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine?
4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 344.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 116785861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).