2-ethyl-1,4,5,6-tetrahydropyrimidine

C6H12N2 — CID 21290279

IUPAC2-ethyl-1,4,5,6-tetrahydropyrimidine
SMILESCCC1=NCCCN1
InChIInChI=1S/C6H12N2/c1-2-6-7-4-3-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyWLXRWUXFRPDLBK-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.79
Rot. Bonds1

About 2-ethyl-1,4,5,6-tetrahydropyrimidine

2-ethyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 21290279) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-ethyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-ethyl-1,4,5,6-tetrahydropyrimidine
PubChem CID21290279
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-ethyl-1,4,5,6-tetrahydropyrimidine
SMILESCCC1=NCCCN1
InChIInChI=1S/C6H12N2/c1-2-6-7-4-3-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyWLXRWUXFRPDLBK-UHFFFAOYSA-N
XLogP0.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-ethyl-1,4,5,6-tetrahydropyrimidine (CID 21290279) is 2-ethyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-ethyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-ethyl-1,4,5,6-tetrahydropyrimidine is CCC1=NCCCN1.
What is the InChIKey of 2-ethyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is WLXRWUXFRPDLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-6-7-4-3-5-8-6/h2-5H2,1H3,(H,7,8).
What are the key properties of 2-ethyl-1,4,5,6-tetrahydropyrimidine?
2-ethyl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 112.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 21290279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).