6-ethyl-1H-pyrimidine

C6H8N2 — CID 20662532

IUPAC6-ethyl-1H-pyrimidine
SMILESCCC1=C=CN=CN1
InChIInChI=1S/C6H8N2/c1-2-6-3-4-7-5-8-6/h4-5H,2H2,1H3,(H,7,8)
InChIKeyTVKZGVAQQQTCGN-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.02
Rot. Bonds1

About 6-ethyl-1H-pyrimidine

6-ethyl-1H-pyrimidine (PubChem CID 20662532) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 6-ethyl-1H-pyrimidine.

Molecular Properties

Compound Name6-ethyl-1H-pyrimidine
PubChem CID20662532
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name6-ethyl-1H-pyrimidine
SMILESCCC1=C=CN=CN1
InChIInChI=1S/C6H8N2/c1-2-6-3-4-7-5-8-6/h4-5H,2H2,1H3,(H,7,8)
InChIKeyTVKZGVAQQQTCGN-UHFFFAOYSA-N
XLogP1.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1H-pyrimidine?
The IUPAC name of 6-ethyl-1H-pyrimidine (CID 20662532) is 6-ethyl-1H-pyrimidine.
What is the SMILES notation for 6-ethyl-1H-pyrimidine?
The canonical SMILES for 6-ethyl-1H-pyrimidine is CCC1=C=CN=CN1.
What is the InChIKey of 6-ethyl-1H-pyrimidine?
The InChIKey is TVKZGVAQQQTCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-6-3-4-7-5-8-6/h4-5H,2H2,1H3,(H,7,8).
What are the key properties of 6-ethyl-1H-pyrimidine?
6-ethyl-1H-pyrimidine has a molecular weight of 108.14 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1H-pyrimidine is sourced from PubChem (CID 20662532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).