5-bromo-6-cyclopropylpyrimidin-4-amine

C7H8BrN3 — CID 66302944

IUPAC5-bromo-6-cyclopropylpyrimidin-4-amine
SMILESNc1ncnc(C2CC2)c1Br
InChIInChI=1S/C7H8BrN3/c8-5-6(4-1-2-4)10-3-11-7(5)9/h3-4H,1-2H2,(H2,9,10,11)
InChIKeyJPSXIRLBBFYDEY-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.70
Rot. Bonds1

About 5-bromo-6-cyclopropylpyrimidin-4-amine

5-bromo-6-cyclopropylpyrimidin-4-amine (PubChem CID 66302944) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is 5-bromo-6-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropylpyrimidin-4-amine
PubChem CID66302944
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name5-bromo-6-cyclopropylpyrimidin-4-amine
SMILESNc1ncnc(C2CC2)c1Br
InChIInChI=1S/C7H8BrN3/c8-5-6(4-1-2-4)10-3-11-7(5)9/h3-4H,1-2H2,(H2,9,10,11)
InChIKeyJPSXIRLBBFYDEY-UHFFFAOYSA-N
XLogP1.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropylpyrimidin-4-amine (CID 66302944) is 5-bromo-6-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropylpyrimidin-4-amine is Nc1ncnc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropylpyrimidin-4-amine?
The InChIKey is JPSXIRLBBFYDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3/c8-5-6(4-1-2-4)10-3-11-7(5)9/h3-4H,1-2H2,(H2,9,10,11).
What are the key properties of 5-bromo-6-cyclopropylpyrimidin-4-amine?
5-bromo-6-cyclopropylpyrimidin-4-amine has a molecular weight of 214.07 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 66302944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).