5,6-diethyl-1,2,3,4-tetrahydropyrimidine

C8H16N2 — CID 170291674

IUPAC5,6-diethyl-1,2,3,4-tetrahydropyrimidine
SMILESCCC1=C(CC)NCNC1
InChIInChI=1S/C8H16N2/c1-3-7-5-9-6-10-8(7)4-2/h9-10H,3-6H2,1-2H3
InChIKeyJUZQAEJGSIKNNJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.21
Rot. Bonds2

About 5,6-diethyl-1,2,3,4-tetrahydropyrimidine

5,6-diethyl-1,2,3,4-tetrahydropyrimidine (PubChem CID 170291674) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5,6-diethyl-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name5,6-diethyl-1,2,3,4-tetrahydropyrimidine
PubChem CID170291674
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5,6-diethyl-1,2,3,4-tetrahydropyrimidine
SMILESCCC1=C(CC)NCNC1
InChIInChI=1S/C8H16N2/c1-3-7-5-9-6-10-8(7)4-2/h9-10H,3-6H2,1-2H3
InChIKeyJUZQAEJGSIKNNJ-UHFFFAOYSA-N
XLogP1.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 5,6-diethyl-1,2,3,4-tetrahydropyrimidine (CID 170291674) is 5,6-diethyl-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 5,6-diethyl-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 5,6-diethyl-1,2,3,4-tetrahydropyrimidine is CCC1=C(CC)NCNC1.
What is the InChIKey of 5,6-diethyl-1,2,3,4-tetrahydropyrimidine?
The InChIKey is JUZQAEJGSIKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-7-5-9-6-10-8(7)4-2/h9-10H,3-6H2,1-2H3.
What are the key properties of 5,6-diethyl-1,2,3,4-tetrahydropyrimidine?
5,6-diethyl-1,2,3,4-tetrahydropyrimidine has a molecular weight of 140.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 170291674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).