5-bromo-2-cyclopropyl-4-methylpyrimidine

C8H9BrN2 — CID 82374731

IUPAC5-bromo-2-cyclopropyl-4-methylpyrimidine
SMILESCc1nc(C2CC2)ncc1Br
InChIInChI=1S/C8H9BrN2/c1-5-7(9)4-10-8(11-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyIKWKEICYVKOUNC-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.42
Rot. Bonds1

About 5-bromo-2-cyclopropyl-4-methylpyrimidine

5-bromo-2-cyclopropyl-4-methylpyrimidine (PubChem CID 82374731) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-4-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-4-methylpyrimidine
PubChem CID82374731
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name5-bromo-2-cyclopropyl-4-methylpyrimidine
SMILESCc1nc(C2CC2)ncc1Br
InChIInChI=1S/C8H9BrN2/c1-5-7(9)4-10-8(11-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyIKWKEICYVKOUNC-UHFFFAOYSA-N
XLogP2.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-4-methylpyrimidine?
The IUPAC name of 5-bromo-2-cyclopropyl-4-methylpyrimidine (CID 82374731) is 5-bromo-2-cyclopropyl-4-methylpyrimidine.
What is the SMILES notation for 5-bromo-2-cyclopropyl-4-methylpyrimidine?
The canonical SMILES for 5-bromo-2-cyclopropyl-4-methylpyrimidine is Cc1nc(C2CC2)ncc1Br.
What is the InChIKey of 5-bromo-2-cyclopropyl-4-methylpyrimidine?
The InChIKey is IKWKEICYVKOUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-5-7(9)4-10-8(11-5)6-2-3-6/h4,6H,2-3H2,1H3.
What are the key properties of 5-bromo-2-cyclopropyl-4-methylpyrimidine?
5-bromo-2-cyclopropyl-4-methylpyrimidine has a molecular weight of 213.08 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-4-methylpyrimidine is sourced from PubChem (CID 82374731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).