3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine

C11H11BrClN3O2S — CID 139062731

IUPAC3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(N)n1.O=C(O)c1sccc1Br
InChIInChI=1S/C6H8ClN3.C5H3BrO2S/c1-3-5(7)6(8)10-4(2)9-3;6-3-1-2-9-4(3)5(7)8/h1-2H3,(H2,8,9,10);1-2H,(H,7,8)
InChIKeyQXSFFRPRRMOLBR-UHFFFAOYSA-N
MW364.65 g/mol
LogP3.54
Rot. Bonds1

About 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine

3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine (PubChem CID 139062731) has the molecular formula C11H11BrClN3O2S and a molecular weight of 364.65 g/mol. Its IUPAC name is 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine
PubChem CID139062731
Molecular FormulaC11H11BrClN3O2S
Molecular Weight364.65 g/mol
Exact Mass362.94
IUPAC Name3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(N)n1.O=C(O)c1sccc1Br
InChIInChI=1S/C6H8ClN3.C5H3BrO2S/c1-3-5(7)6(8)10-4(2)9-3;6-3-1-2-9-4(3)5(7)8/h1-2H3,(H2,8,9,10);1-2H,(H,7,8)
InChIKeyQXSFFRPRRMOLBR-UHFFFAOYSA-N
XLogP3.54
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.65
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine (CID 139062731) is 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine is Cc1nc(C)c(Cl)c(N)n1.O=C(O)c1sccc1Br.
What is the InChIKey of 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine?
The InChIKey is QXSFFRPRRMOLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3.C5H3BrO2S/c1-3-5(7)6(8)10-4(2)9-3;6-3-1-2-9-4(3)5(7)8/h1-2H3,(H2,8,9,10);1-2H,(H,7,8).
What are the key properties of 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine?
3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine has a molecular weight of 364.65 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromothiophene-2-carboxylic acid;5-chloro-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 139062731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).