5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine

C14H17BrN4O — CID 106262690

IUPAC5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCCc2ccccc2OC)n1
InChIInChI=1S/C14H17BrN4O/c1-16-14-18-9-11(15)13(19-14)17-8-7-10-5-3-4-6-12(10)20-2/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyUSNCOORAIBWLLO-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.94
Rot. Bonds6

About 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 106262690) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID106262690
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCCc2ccccc2OC)n1
InChIInChI=1S/C14H17BrN4O/c1-16-14-18-9-11(15)13(19-14)17-8-7-10-5-3-4-6-12(10)20-2/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyUSNCOORAIBWLLO-UHFFFAOYSA-N
XLogP2.94
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
5-bromo-4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786471
2-N-ethyl-5-fluoro-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 106262703
5-bromo-4-N-[2-(4-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80794844
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
CID 102536210
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80813067
5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262742
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
5-bromo-2-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114185566

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine (CID 106262690) is 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(NCCc2ccccc2OC)n1.
What is the InChIKey of 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is USNCOORAIBWLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-16-14-18-9-11(15)13(19-14)17-8-7-10-5-3-4-6-12(10)20-2/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 337.22 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 106262690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).