4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine

C11H9BrN4 — CID 112554806

IUPAC4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine
SMILESBrc1cc(-c2cncnc2)nc(C2CC2)n1
InChIInChI=1S/C11H9BrN4/c12-10-3-9(8-4-13-6-14-5-8)15-11(16-10)7-1-2-7/h3-7H,1-2H2
InChIKeySOARTJBQLPZUNT-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.57
Rot. Bonds2

About 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine

4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine (PubChem CID 112554806) has the molecular formula C11H9BrN4 and a molecular weight of 277.12 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine.

Molecular Properties

Compound Name4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine
PubChem CID112554806
Molecular FormulaC11H9BrN4
Molecular Weight277.12 g/mol
Exact Mass276.00
IUPAC Name4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine
SMILESBrc1cc(-c2cncnc2)nc(C2CC2)n1
InChIInChI=1S/C11H9BrN4/c12-10-3-9(8-4-13-6-14-5-8)15-11(16-10)7-1-2-7/h3-7H,1-2H2
InChIKeySOARTJBQLPZUNT-UHFFFAOYSA-N
XLogP2.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine?
The IUPAC name of 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine (CID 112554806) is 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine.
What is the SMILES notation for 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine?
The canonical SMILES for 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine is Brc1cc(-c2cncnc2)nc(C2CC2)n1.
What is the InChIKey of 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine?
The InChIKey is SOARTJBQLPZUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4/c12-10-3-9(8-4-13-6-14-5-8)15-11(16-10)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine?
4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine has a molecular weight of 277.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine is sourced from PubChem (CID 112554806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).