2,3-diethyl-2,6-dihydro-1H-pyrimidine

C8H16N2 — CID 23084416

IUPAC2,3-diethyl-2,6-dihydro-1H-pyrimidine
SMILESCCC1NCC=CN1CC
InChIInChI=1S/C8H16N2/c1-3-8-9-6-5-7-10(8)4-2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyOOTAVUGQWHISGT-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.16
Rot. Bonds2

About 2,3-diethyl-2,6-dihydro-1H-pyrimidine

2,3-diethyl-2,6-dihydro-1H-pyrimidine (PubChem CID 23084416) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,3-diethyl-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2,3-diethyl-2,6-dihydro-1H-pyrimidine
PubChem CID23084416
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,3-diethyl-2,6-dihydro-1H-pyrimidine
SMILESCCC1NCC=CN1CC
InChIInChI=1S/C8H16N2/c1-3-8-9-6-5-7-10(8)4-2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyOOTAVUGQWHISGT-UHFFFAOYSA-N
XLogP1.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2,6-dihydro-1H-pyrimidine?
The IUPAC name of 2,3-diethyl-2,6-dihydro-1H-pyrimidine (CID 23084416) is 2,3-diethyl-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2,3-diethyl-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2,3-diethyl-2,6-dihydro-1H-pyrimidine is CCC1NCC=CN1CC.
What is the InChIKey of 2,3-diethyl-2,6-dihydro-1H-pyrimidine?
The InChIKey is OOTAVUGQWHISGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-8-9-6-5-7-10(8)4-2/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 2,3-diethyl-2,6-dihydro-1H-pyrimidine?
2,3-diethyl-2,6-dihydro-1H-pyrimidine has a molecular weight of 140.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 23084416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).