4,6-diethyl-1H-pyrimidin-2-one

C8H12N2O — CID 68882753

IUPAC4,6-diethyl-1H-pyrimidin-2-one
SMILESCCc1cc(CC)[nH]c(=O)n1
InChIInChI=1S/C8H12N2O/c1-3-6-5-7(4-2)10-8(11)9-6/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyHOHXYIDQEIDKCT-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.89
Rot. Bonds2

About 4,6-diethyl-1H-pyrimidin-2-one

4,6-diethyl-1H-pyrimidin-2-one (PubChem CID 68882753) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4,6-diethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-diethyl-1H-pyrimidin-2-one
PubChem CID68882753
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4,6-diethyl-1H-pyrimidin-2-one
SMILESCCc1cc(CC)[nH]c(=O)n1
InChIInChI=1S/C8H12N2O/c1-3-6-5-7(4-2)10-8(11)9-6/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyHOHXYIDQEIDKCT-UHFFFAOYSA-N
XLogP0.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-1H-pyrimidin-2-one?
The IUPAC name of 4,6-diethyl-1H-pyrimidin-2-one (CID 68882753) is 4,6-diethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-diethyl-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-diethyl-1H-pyrimidin-2-one is CCc1cc(CC)[nH]c(=O)n1.
What is the InChIKey of 4,6-diethyl-1H-pyrimidin-2-one?
The InChIKey is HOHXYIDQEIDKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-6-5-7(4-2)10-8(11)9-6/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 4,6-diethyl-1H-pyrimidin-2-one?
4,6-diethyl-1H-pyrimidin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 68882753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).