5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine

C11H8Br3N3O — CID 66297069

IUPAC5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2cc(Br)c(Br)o2)nc(C2CC2)c1Br
InChIInChI=1S/C11H8Br3N3O/c12-5-3-6(18-9(5)14)11-16-8(4-1-2-4)7(13)10(15)17-11/h3-4H,1-2H2,(H2,15,16,17)
InChIKeySSMMAAKVYPLCKC-UHFFFAOYSA-N
MW437.92 g/mol
LogP4.48
Rot. Bonds2

About 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine (PubChem CID 66297069) has the molecular formula C11H8Br3N3O and a molecular weight of 437.92 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine
PubChem CID66297069
Molecular FormulaC11H8Br3N3O
Molecular Weight437.92 g/mol
Exact Mass434.82
IUPAC Name5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2cc(Br)c(Br)o2)nc(C2CC2)c1Br
InChIInChI=1S/C11H8Br3N3O/c12-5-3-6(18-9(5)14)11-16-8(4-1-2-4)7(13)10(15)17-11/h3-4H,1-2H2,(H2,15,16,17)
InChIKeySSMMAAKVYPLCKC-UHFFFAOYSA-N
XLogP4.48
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.92
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine (CID 66297069) is 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine is Nc1nc(-c2cc(Br)c(Br)o2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine?
The InChIKey is SSMMAAKVYPLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br3N3O/c12-5-3-6(18-9(5)14)11-16-8(4-1-2-4)7(13)10(15)17-11/h3-4H,1-2H2,(H2,15,16,17).
What are the key properties of 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine has a molecular weight of 437.92 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66297069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).