5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C13H12Br2ClN3O — CID 115568320

IUPAC5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)c(Br)c2)nc(COC)c1Br
InChIInChI=1S/C13H12Br2ClN3O/c1-17-13-11(15)10(6-20-2)18-12(19-13)7-3-4-9(16)8(14)5-7/h3-5H,6H2,1-2H3,(H,17,18,19)
InChIKeyHHQRSPNAFKTAEW-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.51
Rot. Bonds4

About 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 115568320) has the molecular formula C13H12Br2ClN3O and a molecular weight of 421.52 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID115568320
Molecular FormulaC13H12Br2ClN3O
Molecular Weight421.52 g/mol
Exact Mass418.90
IUPAC Name5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)c(Br)c2)nc(COC)c1Br
InChIInChI=1S/C13H12Br2ClN3O/c1-17-13-11(15)10(6-20-2)18-12(19-13)7-3-4-9(16)8(14)5-7/h3-5H,6H2,1-2H3,(H,17,18,19)
InChIKeyHHQRSPNAFKTAEW-UHFFFAOYSA-N
XLogP4.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297577
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66296421
5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 79780264
2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 113337298
5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66298412
5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 106818393
5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81147117
5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114557431
5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 82800970

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 115568320) is 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2ccc(Cl)c(Br)c2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is HHQRSPNAFKTAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2ClN3O/c1-17-13-11(15)10(6-20-2)18-12(19-13)7-3-4-9(16)8(14)5-7/h3-5H,6H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 421.52 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115568320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).