5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine

C9H8BrN3S — CID 130581487

IUPAC5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine
SMILESCc1sccc1-c1ncc(Br)c(N)n1
InChIInChI=1S/C9H8BrN3S/c1-5-6(2-3-14-5)9-12-4-7(10)8(11)13-9/h2-4H,1H3,(H2,11,12,13)
InChIKeyULXJRNMNUQNURI-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.86
Rot. Bonds1

About 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine

5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine (PubChem CID 130581487) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine
PubChem CID130581487
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC Name5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine
SMILESCc1sccc1-c1ncc(Br)c(N)n1
InChIInChI=1S/C9H8BrN3S/c1-5-6(2-3-14-5)9-12-4-7(10)8(11)13-9/h2-4H,1H3,(H2,11,12,13)
InChIKeyULXJRNMNUQNURI-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine (CID 130581487) is 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine is Cc1sccc1-c1ncc(Br)c(N)n1.
What is the InChIKey of 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine?
The InChIKey is ULXJRNMNUQNURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c1-5-6(2-3-14-5)9-12-4-7(10)8(11)13-9/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine?
5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine has a molecular weight of 270.16 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 130581487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).