2-ethyl-1,2,3,4-tetrahydropyrimidine

C6H12N2 — CID 19763485

IUPAC2-ethyl-1,2,3,4-tetrahydropyrimidine
SMILESCCC1NC=CCN1
InChIInChI=1S/C6H12N2/c1-2-6-7-4-3-5-8-6/h3-4,6-8H,2,5H2,1H3
InChIKeyGVPLALUKJMMFAU-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.43
Rot. Bonds1

About 2-ethyl-1,2,3,4-tetrahydropyrimidine

2-ethyl-1,2,3,4-tetrahydropyrimidine (PubChem CID 19763485) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-ethyl-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2-ethyl-1,2,3,4-tetrahydropyrimidine
PubChem CID19763485
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-ethyl-1,2,3,4-tetrahydropyrimidine
SMILESCCC1NC=CCN1
InChIInChI=1S/C6H12N2/c1-2-6-7-4-3-5-8-6/h3-4,6-8H,2,5H2,1H3
InChIKeyGVPLALUKJMMFAU-UHFFFAOYSA-N
XLogP0.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1,2,3,4-tetrahydropyrimidine 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 2-ethyl-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2-ethyl-1,2,3,4-tetrahydropyrimidine (CID 19763485) is 2-ethyl-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2-ethyl-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2-ethyl-1,2,3,4-tetrahydropyrimidine is CCC1NC=CCN1.
What is the InChIKey of 2-ethyl-1,2,3,4-tetrahydropyrimidine?
The InChIKey is GVPLALUKJMMFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-6-7-4-3-5-8-6/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-ethyl-1,2,3,4-tetrahydropyrimidine?
2-ethyl-1,2,3,4-tetrahydropyrimidine has a molecular weight of 112.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 19763485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).