5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine

C12H10BrCl2N3O — CID 106999086

IUPAC5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cc(Cl)c(C)cc2Cl)ncc1Br
InChIInChI=1S/C12H10BrCl2N3O/c1-6-3-9(15)10(4-8(6)14)17-12-16-5-7(13)11(18-12)19-2/h3-5H,1-2H3,(H,16,17,18)
InChIKeyXGNBOMGCQFODLP-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.61
Rot. Bonds3

About 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine (PubChem CID 106999086) has the molecular formula C12H10BrCl2N3O and a molecular weight of 363.04 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
PubChem CID106999086
Molecular FormulaC12H10BrCl2N3O
Molecular Weight363.04 g/mol
Exact Mass360.94
IUPAC Name5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cc(Cl)c(C)cc2Cl)ncc1Br
InChIInChI=1S/C12H10BrCl2N3O/c1-6-3-9(15)10(4-8(6)14)17-12-16-5-7(13)11(18-12)19-2/h3-5H,1-2H3,(H,16,17,18)
InChIKeyXGNBOMGCQFODLP-UHFFFAOYSA-N
XLogP4.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine (CID 106999086) is 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine is COc1nc(Nc2cc(Cl)c(C)cc2Cl)ncc1Br.
What is the InChIKey of 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine?
The InChIKey is XGNBOMGCQFODLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O/c1-6-3-9(15)10(4-8(6)14)17-12-16-5-7(13)11(18-12)19-2/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine has a molecular weight of 363.04 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106999086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).