5-ethylpyrimidine

C6H8N2 — CID 14434921

IUPAC5-ethylpyrimidine
SMILESCCc1cncnc1
InChIInChI=1S/C6H8N2/c1-2-6-3-7-5-8-4-6/h3-5H,2H2,1H3
InChIKeyMJTSPTRANGPNRJ-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.04
Rot. Bonds1

About 5-ethylpyrimidine

5-ethylpyrimidine (PubChem CID 14434921) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 5-ethylpyrimidine.

Molecular Properties

Compound Name5-ethylpyrimidine
PubChem CID14434921
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name5-ethylpyrimidine
SMILESCCc1cncnc1
InChIInChI=1S/C6H8N2/c1-2-6-3-7-5-8-4-6/h3-5H,2H2,1H3
InChIKeyMJTSPTRANGPNRJ-UHFFFAOYSA-N
XLogP1.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylpyrimidine?
The IUPAC name of 5-ethylpyrimidine (CID 14434921) is 5-ethylpyrimidine.
What is the SMILES notation for 5-ethylpyrimidine?
The canonical SMILES for 5-ethylpyrimidine is CCc1cncnc1.
What is the InChIKey of 5-ethylpyrimidine?
The InChIKey is MJTSPTRANGPNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-6-3-7-5-8-4-6/h3-5H,2H2,1H3.
What are the key properties of 5-ethylpyrimidine?
5-ethylpyrimidine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpyrimidine is sourced from PubChem (CID 14434921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).