3,4-diethyl-4H-pyrimidine

C8H14N2 — CID 137444867

IUPAC3,4-diethyl-4H-pyrimidine
SMILESCCC1C=CN=CN1CC
InChIInChI=1S/C8H14N2/c1-3-8-5-6-9-7-10(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyACAHRHYOCVJJPM-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds2

About 3,4-diethyl-4H-pyrimidine

3,4-diethyl-4H-pyrimidine (PubChem CID 137444867) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3,4-diethyl-4H-pyrimidine.

Molecular Properties

Compound Name3,4-diethyl-4H-pyrimidine
PubChem CID137444867
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3,4-diethyl-4H-pyrimidine
SMILESCCC1C=CN=CN1CC
InChIInChI=1S/C8H14N2/c1-3-8-5-6-9-7-10(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyACAHRHYOCVJJPM-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-4H-pyrimidine?
The IUPAC name of 3,4-diethyl-4H-pyrimidine (CID 137444867) is 3,4-diethyl-4H-pyrimidine.
What is the SMILES notation for 3,4-diethyl-4H-pyrimidine?
The canonical SMILES for 3,4-diethyl-4H-pyrimidine is CCC1C=CN=CN1CC.
What is the InChIKey of 3,4-diethyl-4H-pyrimidine?
The InChIKey is ACAHRHYOCVJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8-5-6-9-7-10(8)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 3,4-diethyl-4H-pyrimidine?
3,4-diethyl-4H-pyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-4H-pyrimidine is sourced from PubChem (CID 137444867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).