3-ethyl-4H-pyrimidine

C6H10N2 — CID 54313993

IUPAC3-ethyl-4H-pyrimidine
SMILESCCN1C=NC=CC1
InChIInChI=1S/C6H10N2/c1-2-8-5-3-4-7-6-8/h3-4,6H,2,5H2,1H3
InChIKeySMWBPVQIWKIIMB-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.86
Rot. Bonds1

About 3-ethyl-4H-pyrimidine

3-ethyl-4H-pyrimidine (PubChem CID 54313993) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-ethyl-4H-pyrimidine.

Molecular Properties

Compound Name3-ethyl-4H-pyrimidine
PubChem CID54313993
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-ethyl-4H-pyrimidine
SMILESCCN1C=NC=CC1
InChIInChI=1S/C6H10N2/c1-2-8-5-3-4-7-6-8/h3-4,6H,2,5H2,1H3
InChIKeySMWBPVQIWKIIMB-UHFFFAOYSA-N
XLogP0.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4H-pyrimidine?
The IUPAC name of 3-ethyl-4H-pyrimidine (CID 54313993) is 3-ethyl-4H-pyrimidine.
What is the SMILES notation for 3-ethyl-4H-pyrimidine?
The canonical SMILES for 3-ethyl-4H-pyrimidine is CCN1C=NC=CC1.
What is the InChIKey of 3-ethyl-4H-pyrimidine?
The InChIKey is SMWBPVQIWKIIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-8-5-3-4-7-6-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 3-ethyl-4H-pyrimidine?
3-ethyl-4H-pyrimidine has a molecular weight of 110.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4H-pyrimidine is sourced from PubChem (CID 54313993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).