5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine

C13H13BrClN3O — CID 104818317

IUPAC5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(-c2c(Cl)cccc2OC)nc(N)c1Br
InChIInChI=1S/C13H13BrClN3O/c1-3-8-11(14)12(16)18-13(17-8)10-7(15)5-4-6-9(10)19-2/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyPZEXYVIOLZVPTN-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.71
Rot. Bonds3

About 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine

5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine (PubChem CID 104818317) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
PubChem CID104818317
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(-c2c(Cl)cccc2OC)nc(N)c1Br
InChIInChI=1S/C13H13BrClN3O/c1-3-8-11(14)12(16)18-13(17-8)10-7(15)5-4-6-9(10)19-2/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyPZEXYVIOLZVPTN-UHFFFAOYSA-N
XLogP3.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 113456422
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 104818371
4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
CID 104816907
5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 66300553
5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66295840
5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922881
2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472857
5-bromo-2-(3-chloro-2-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 114488741
5-(2-chloro-6-methoxyphenyl)-2-ethyl-3-propylimidazol-4-amine
CID 104817992
5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 104818026
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635
5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine
CID 66300010

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine (CID 104818317) is 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine is CCc1nc(-c2c(Cl)cccc2OC)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine?
The InChIKey is PZEXYVIOLZVPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-3-8-11(14)12(16)18-13(17-8)10-7(15)5-4-6-9(10)19-2/h4-6H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine?
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine has a molecular weight of 342.62 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 104818317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).