2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine

C10H10BrN3S — CID 62601265

IUPAC2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine
SMILESNC(Cc1cc(Br)cs1)c1ncccn1
InChIInChI=1S/C10H10BrN3S/c11-7-4-8(15-6-7)5-9(12)10-13-2-1-3-14-10/h1-4,6,9H,5,12H2
InChIKeyNYFLJUORMPWNEB-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine

2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine (PubChem CID 62601265) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine
PubChem CID62601265
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine
SMILESNC(Cc1cc(Br)cs1)c1ncccn1
InChIInChI=1S/C10H10BrN3S/c11-7-4-8(15-6-7)5-9(12)10-13-2-1-3-14-10/h1-4,6,9H,5,12H2
InChIKeyNYFLJUORMPWNEB-UHFFFAOYSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62608024
2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine
CID 63222511
1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107984904
2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105139215
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107945558
2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115847883
2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115847800
2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 115847964
2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789820
2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115847759

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine (CID 62601265) is 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine is NC(Cc1cc(Br)cs1)c1ncccn1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine?
The InChIKey is NYFLJUORMPWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c11-7-4-8(15-6-7)5-9(12)10-13-2-1-3-14-10/h1-4,6,9H,5,12H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine?
2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine has a molecular weight of 284.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 62601265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).