6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine

C11H10BrN3S — CID 122238983

IUPAC6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine
SMILESNc1cc(-c2ccc(Br)s2)nc(C2CC2)n1
InChIInChI=1S/C11H10BrN3S/c12-9-4-3-8(16-9)7-5-10(13)15-11(14-7)6-1-2-6/h3-6H,1-2H2,(H2,13,14,15)
InChIKeyTWGOEKHTLRHFRB-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.43
Rot. Bonds2

About 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine

6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine (PubChem CID 122238983) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine
PubChem CID122238983
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine
SMILESNc1cc(-c2ccc(Br)s2)nc(C2CC2)n1
InChIInChI=1S/C11H10BrN3S/c12-9-4-3-8(16-9)7-5-10(13)15-11(14-7)6-1-2-6/h3-6H,1-2H2,(H2,13,14,15)
InChIKeyTWGOEKHTLRHFRB-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine (CID 122238983) is 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine is Nc1cc(-c2ccc(Br)s2)nc(C2CC2)n1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine?
The InChIKey is TWGOEKHTLRHFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c12-9-4-3-8(16-9)7-5-10(13)15-11(14-7)6-1-2-6/h3-6H,1-2H2,(H2,13,14,15).
What are the key properties of 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine?
6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine has a molecular weight of 296.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 122238983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).