1-ethenyl-2H-pyrimidine

C6H8N2 — CID 23364352

IUPAC1-ethenyl-2H-pyrimidine
SMILESC=CN1C=CC=NC1
InChIInChI=1S/C6H8N2/c1-2-8-5-3-4-7-6-8/h2-5H,1,6H2
InChIKeyLNKDTZRRFHHCCV-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.99
Rot. Bonds1

About 1-ethenyl-2H-pyrimidine

1-ethenyl-2H-pyrimidine (PubChem CID 23364352) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-ethenyl-2H-pyrimidine.

Molecular Properties

Compound Name1-ethenyl-2H-pyrimidine
PubChem CID23364352
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1-ethenyl-2H-pyrimidine
SMILESC=CN1C=CC=NC1
InChIInChI=1S/C6H8N2/c1-2-8-5-3-4-7-6-8/h2-5H,1,6H2
InChIKeyLNKDTZRRFHHCCV-UHFFFAOYSA-N
XLogP0.99
TPSA15.60 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 ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethenyl-2H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2H-pyrimidine?
The IUPAC name of 1-ethenyl-2H-pyrimidine (CID 23364352) is 1-ethenyl-2H-pyrimidine.
What is the SMILES notation for 1-ethenyl-2H-pyrimidine?
The canonical SMILES for 1-ethenyl-2H-pyrimidine is C=CN1C=CC=NC1.
What is the InChIKey of 1-ethenyl-2H-pyrimidine?
The InChIKey is LNKDTZRRFHHCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-8-5-3-4-7-6-8/h2-5H,1,6H2.
What are the key properties of 1-ethenyl-2H-pyrimidine?
1-ethenyl-2H-pyrimidine has a molecular weight of 108.14 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2H-pyrimidine is sourced from PubChem (CID 23364352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).