4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine

C14H18BrN5 — CID 80807102

IUPAC4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(C)c2cccc(Br)c2)nc(N)n1
InChIInChI=1S/C14H18BrN5/c1-3-17-12-8-13(20-14(16)19-12)18-9(2)10-5-4-6-11(15)7-10/h4-9H,3H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyQQLFRJMGPVNKJK-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.43
Rot. Bonds5

About 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine

4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80807102) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80807102
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(C)c2cccc(Br)c2)nc(N)n1
InChIInChI=1S/C14H18BrN5/c1-3-17-12-8-13(20-14(16)19-12)18-9(2)10-5-4-6-11(15)7-10/h4-9H,3H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyQQLFRJMGPVNKJK-UHFFFAOYSA-N
XLogP3.43
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80839673
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4,6-triamine
CID 80781743
4-N-[1-(4-bromophenyl)ethyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80802039
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80905386
4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80808089
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
CID 114869184
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine (CID 80807102) is 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NC(C)c2cccc(Br)c2)nc(N)n1.
What is the InChIKey of 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is QQLFRJMGPVNKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-3-17-12-8-13(20-14(16)19-12)18-9(2)10-5-4-6-11(15)7-10/h4-9H,3H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 336.24 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80807102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).