N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine

C13H15BrN4O2 — CID 106998107

IUPACN-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cccc(OCCN)c2)ncc1Br
InChIInChI=1S/C13H15BrN4O2/c1-19-12-11(14)8-16-13(18-12)17-9-3-2-4-10(7-9)20-6-5-15/h2-4,7-8H,5-6,15H2,1H3,(H,16,17,18)
InChIKeyWPQYZECYBMDUCL-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.33
Rot. Bonds6

About N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine

N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine (PubChem CID 106998107) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
PubChem CID106998107
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cccc(OCCN)c2)ncc1Br
InChIInChI=1S/C13H15BrN4O2/c1-19-12-11(14)8-16-13(18-12)17-9-3-2-4-10(7-9)20-6-5-15/h2-4,7-8H,5-6,15H2,1H3,(H,16,17,18)
InChIKeyWPQYZECYBMDUCL-UHFFFAOYSA-N
XLogP2.33
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(aminomethyl)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106999908
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 170970806
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
CID 107616386
methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
CID 66456161
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-nitropyridin-4-amine
CID 103519572
N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
CID 63121028
2-[5-bromo-2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 162649997
4-[3-(2-aminoethoxy)anilino]-2-bromobenzonitrile
CID 107280658
N-[3-(2-aminoethoxy)phenyl]-6-ethoxypyridin-2-amine
CID 63590964

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine (CID 106998107) is N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine is COc1nc(Nc2cccc(OCCN)c2)ncc1Br.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine?
The InChIKey is WPQYZECYBMDUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-19-12-11(14)8-16-13(18-12)17-9-3-2-4-10(7-9)20-6-5-15/h2-4,7-8H,5-6,15H2,1H3,(H,16,17,18).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine?
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine has a molecular weight of 339.19 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106998107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).