5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine

C7H7BrClN3 — CID 88898893

IUPAC5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(Cl)nc(C2CC2)c1Br
InChIInChI=1S/C7H7BrClN3/c8-4-5(3-1-2-3)11-7(9)12-6(4)10/h3H,1-2H2,(H2,10,11,12)
InChIKeyWPQVXUBQGJXVHO-UHFFFAOYSA-N
MW248.51 g/mol
LogP2.35
Rot. Bonds1

About 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine

5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine (PubChem CID 88898893) has the molecular formula C7H7BrClN3 and a molecular weight of 248.51 g/mol. Its IUPAC name is 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine
PubChem CID88898893
Molecular FormulaC7H7BrClN3
Molecular Weight248.51 g/mol
Exact Mass246.95
IUPAC Name5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(Cl)nc(C2CC2)c1Br
InChIInChI=1S/C7H7BrClN3/c8-4-5(3-1-2-3)11-7(9)12-6(4)10/h3H,1-2H2,(H2,10,11,12)
InChIKeyWPQVXUBQGJXVHO-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine (CID 88898893) is 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine is Nc1nc(Cl)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine?
The InChIKey is WPQVXUBQGJXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN3/c8-4-5(3-1-2-3)11-7(9)12-6(4)10/h3H,1-2H2,(H2,10,11,12).
What are the key properties of 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine?
5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine has a molecular weight of 248.51 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-6-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 88898893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).