2-bromo-5-ethylpyrimidine

C6H7BrN2 — CID 66520097

IUPAC2-bromo-5-ethylpyrimidine
SMILESCCc1cnc(Br)nc1
InChIInChI=1S/C6H7BrN2/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3
InChIKeyQEWPWMJZOZTSCU-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.80
Rot. Bonds1

About 2-bromo-5-ethylpyrimidine

2-bromo-5-ethylpyrimidine (PubChem CID 66520097) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 2-bromo-5-ethylpyrimidine.

Molecular Properties

Compound Name2-bromo-5-ethylpyrimidine
PubChem CID66520097
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name2-bromo-5-ethylpyrimidine
SMILESCCc1cnc(Br)nc1
InChIInChI=1S/C6H7BrN2/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3
InChIKeyQEWPWMJZOZTSCU-UHFFFAOYSA-N
XLogP1.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylpyrimidine
CID 74859
2,4-Dichloro-5-(beta-chloroethyl)pyrimidine
CID 56835046
5-Methylpyrimidin-4-amine
CID 21719209
5-Ethenylpyrimidine
CID 639849
2-Chloro-5-methylpyrimidine
CID 581719
2-Chloro-5-ethylpyrimidine
CID 3572763
5-Methylpyrimidin-2-amine
CID 12999933
2,4-Difluoro-5-methylpyrimidine
CID 336950
2,5-Dimethylpyrimidine
CID 535856
4,5-Dimethylpyrimidine
CID 572516
2-Methoxy-5-methylpyrimidine
CID 580052
5-Methylpyrimidine-4-carbonitrile
CID 13860984

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethylpyrimidine?
The IUPAC name of 2-bromo-5-ethylpyrimidine (CID 66520097) is 2-bromo-5-ethylpyrimidine.
What is the SMILES notation for 2-bromo-5-ethylpyrimidine?
The canonical SMILES for 2-bromo-5-ethylpyrimidine is CCc1cnc(Br)nc1.
What is the InChIKey of 2-bromo-5-ethylpyrimidine?
The InChIKey is QEWPWMJZOZTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-5-ethylpyrimidine?
2-bromo-5-ethylpyrimidine has a molecular weight of 187.04 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethylpyrimidine is sourced from PubChem (CID 66520097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).