6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine

C13H14BrN3O — CID 113324652

IUPAC6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(-c2ccccc2Br)c1OC
InChIInChI=1S/C13H14BrN3O/c1-3-15-13-12(18-2)11(16-8-17-13)9-6-4-5-7-10(9)14/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyJYILVLOAXMQMBE-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.35
Rot. Bonds4

About 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine

6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine (PubChem CID 113324652) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine
PubChem CID113324652
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(-c2ccccc2Br)c1OC
InChIInChI=1S/C13H14BrN3O/c1-3-15-13-12(18-2)11(16-8-17-13)9-6-4-5-7-10(9)14/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyJYILVLOAXMQMBE-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 115503721
N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine
CID 104739182
3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 113324664
6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886
N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
CID 114691125
6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647224
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 82793042
6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
CID 82825929
6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341833
6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine
CID 107727389
5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812031

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine (CID 113324652) is 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine is CCNc1ncnc(-c2ccccc2Br)c1OC.
What is the InChIKey of 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine?
The InChIKey is JYILVLOAXMQMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-3-15-13-12(18-2)11(16-8-17-13)9-6-4-5-7-10(9)14/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine?
6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 113324652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).