5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine

C13H13Br2N3S — CID 66305665

IUPAC5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2Br)nc(C)c1Br
InChIInChI=1S/C13H13Br2N3S/c1-8-12(15)13(16-2)18-11(17-8)7-19-10-6-4-3-5-9(10)14/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyZCCORVQBXPZTJW-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.64
Rot. Bonds4

About 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine

5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 66305665) has the molecular formula C13H13Br2N3S and a molecular weight of 403.14 g/mol. Its IUPAC name is 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID66305665
Molecular FormulaC13H13Br2N3S
Molecular Weight403.14 g/mol
Exact Mass400.92
IUPAC Name5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2Br)nc(C)c1Br
InChIInChI=1S/C13H13Br2N3S/c1-8-12(15)13(16-2)18-11(17-8)7-19-10-6-4-3-5-9(10)14/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyZCCORVQBXPZTJW-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307296
2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 66145076
2-[2-[(2-bromophenyl)sulfanylmethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 66144887
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306504
5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66305262
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine
CID 63487095
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine
CID 66301835
2-[(2-bromophenyl)sulfanylmethyl]-6-methylpyrimidine-4-carbaldehyde
CID 66144495
5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66302205
5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 66299959
2-[(2-bromophenyl)sulfanylmethyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66300049

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine (CID 66305665) is 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine is CNc1nc(CSc2ccccc2Br)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ZCCORVQBXPZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3S/c1-8-12(15)13(16-2)18-11(17-8)7-19-10-6-4-3-5-9(10)14/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 403.14 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66305665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).