[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine

C10H10BrN3S — CID 116857651

IUPAC[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(-c2cc(Br)cs2)n1
InChIInChI=1S/C10H10BrN3S/c1-6-13-8(4-12)3-9(14-6)10-2-7(11)5-15-10/h2-3,5H,4,12H2,1H3
InChIKeyDENURKYJGQGVTK-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.73
Rot. Bonds2

About [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine

[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine (PubChem CID 116857651) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
PubChem CID116857651
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(-c2cc(Br)cs2)n1
InChIInChI=1S/C10H10BrN3S/c1-6-13-8(4-12)3-9(14-6)10-2-7(11)5-15-10/h2-3,5H,4,12H2,1H3
InChIKeyDENURKYJGQGVTK-UHFFFAOYSA-N
XLogP2.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82490213
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623
[3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82488409
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one
CID 116894775
[2-(4-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 107355567
3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
CID 116856607
[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine
CID 28908693
[2-methyl-6-(5-methylpyrazin-2-yl)pyrimidin-4-yl]methanamine
CID 121206785
(6-chloro-2-methylpyrimidin-4-yl)methanamine
CID 83480049
[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82488638
[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
CID 121206796

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine (CID 116857651) is [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine is Cc1nc(CN)cc(-c2cc(Br)cs2)n1.
What is the InChIKey of [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine?
The InChIKey is DENURKYJGQGVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-6-13-8(4-12)3-9(14-6)10-2-7(11)5-15-10/h2-3,5H,4,12H2,1H3.
What are the key properties of [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine?
[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine has a molecular weight of 284.18 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 116857651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).