4-bromopyrimidine

C4H3BrN2 — CID 12752220

IUPAC4-bromopyrimidine
SMILESBrc1ccncn1
InChIInChI=1S/C4H3BrN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKeyXDADSGBUZWZQQQ-UHFFFAOYSA-N
MW158.99 g/mol
LogP1.24
Rot. Bonds

About 4-bromopyrimidine

4-bromopyrimidine (PubChem CID 12752220) has the molecular formula C4H3BrN2 and a molecular weight of 158.99 g/mol. Its IUPAC name is 4-bromopyrimidine.

Molecular Properties

Compound Name4-bromopyrimidine
PubChem CID12752220
Molecular FormulaC4H3BrN2
Molecular Weight158.99 g/mol
Exact Mass157.95
IUPAC Name4-bromopyrimidine
SMILESBrc1ccncn1
InChIInChI=1S/C4H3BrN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKeyXDADSGBUZWZQQQ-UHFFFAOYSA-N
XLogP1.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.99
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromopyrimidine?
The IUPAC name of 4-bromopyrimidine (CID 12752220) is 4-bromopyrimidine.
What is the SMILES notation for 4-bromopyrimidine?
The canonical SMILES for 4-bromopyrimidine is Brc1ccncn1.
What is the InChIKey of 4-bromopyrimidine?
The InChIKey is XDADSGBUZWZQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2/c5-4-1-2-6-3-7-4/h1-3H.
What are the key properties of 4-bromopyrimidine?
4-bromopyrimidine has a molecular weight of 158.99 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyrimidine is sourced from PubChem (CID 12752220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).