5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine

C11H9BrClN3S — CID 79426457

IUPAC5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(-c2cc(Cl)cs2)nc(C2CC2)c1Br
InChIInChI=1S/C11H9BrClN3S/c12-8-9(5-1-2-5)15-11(16-10(8)14)7-3-6(13)4-17-7/h3-5H,1-2H2,(H2,14,15,16)
InChIKeyWOBNBZJTUPIPQQ-UHFFFAOYSA-N
MW330.64 g/mol
LogP4.08
Rot. Bonds2

About 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine

5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine (PubChem CID 79426457) has the molecular formula C11H9BrClN3S and a molecular weight of 330.64 g/mol. Its IUPAC name is 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine
PubChem CID79426457
Molecular FormulaC11H9BrClN3S
Molecular Weight330.64 g/mol
Exact Mass328.94
IUPAC Name5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(-c2cc(Cl)cs2)nc(C2CC2)c1Br
InChIInChI=1S/C11H9BrClN3S/c12-8-9(5-1-2-5)15-11(16-10(8)14)7-3-6(13)4-17-7/h3-5H,1-2H2,(H2,14,15,16)
InChIKeyWOBNBZJTUPIPQQ-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine (CID 79426457) is 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine is Nc1nc(-c2cc(Cl)cs2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine?
The InChIKey is WOBNBZJTUPIPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3S/c12-8-9(5-1-2-5)15-11(16-10(8)14)7-3-6(13)4-17-7/h3-5H,1-2H2,(H2,14,15,16).
What are the key properties of 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine?
5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine has a molecular weight of 330.64 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 79426457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).