5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine

C10H9BrClN3S — CID 66340620

IUPAC5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)s1)c1ncncc1Br
InChIInChI=1S/C10H9BrClN3S/c1-15(5-7-2-3-9(12)16-7)10-8(11)4-13-6-14-10/h2-4,6H,5H2,1H3
InChIKeyOXUJPRCKMUNIPF-UHFFFAOYSA-N
MW318.63 g/mol
LogP3.59
Rot. Bonds3

About 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine

5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 66340620) has the molecular formula C10H9BrClN3S and a molecular weight of 318.63 g/mol. Its IUPAC name is 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
PubChem CID66340620
Molecular FormulaC10H9BrClN3S
Molecular Weight318.63 g/mol
Exact Mass316.94
IUPAC Name5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)s1)c1ncncc1Br
InChIInChI=1S/C10H9BrClN3S/c1-15(5-7-2-3-9(12)16-7)10-8(11)4-13-6-14-10/h2-4,6H,5H2,1H3
InChIKeyOXUJPRCKMUNIPF-UHFFFAOYSA-N
XLogP3.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.63
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine (CID 66340620) is 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine is CN(Cc1ccc(Cl)s1)c1ncncc1Br.
What is the InChIKey of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is OXUJPRCKMUNIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3S/c1-15(5-7-2-3-9(12)16-7)10-8(11)4-13-6-14-10/h2-4,6H,5H2,1H3.
What are the key properties of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine?
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 318.63 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66340620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).