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

C8H13ClN2O — CID 68882752

IUPAC4,6-diethyl-1H-pyrimidin-2-one;hydrochloride
SMILESCCc1cc(CC)[nH]c(=O)n1.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-3-6-5-7(4-2)10-8(11)9-6;/h5H,3-4H2,1-2H3,(H,9,10,11);1H
InChIKeyZIRGBHZJYXLKHC-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.32
Rot. Bonds2

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

4,6-diethyl-1H-pyrimidin-2-one;hydrochloride (PubChem CID 68882752) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 4,6-diethyl-1H-pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name4,6-diethyl-1H-pyrimidin-2-one;hydrochloride
PubChem CID68882752
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name4,6-diethyl-1H-pyrimidin-2-one;hydrochloride
SMILESCCc1cc(CC)[nH]c(=O)n1.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-3-6-5-7(4-2)10-8(11)9-6;/h5H,3-4H2,1-2H3,(H,9,10,11);1H
InChIKeyZIRGBHZJYXLKHC-UHFFFAOYSA-N
XLogP1.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.32
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;hydrochloride?
The IUPAC name of 4,6-diethyl-1H-pyrimidin-2-one;hydrochloride (CID 68882752) is 4,6-diethyl-1H-pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 4,6-diethyl-1H-pyrimidin-2-one;hydrochloride?
The canonical SMILES for 4,6-diethyl-1H-pyrimidin-2-one;hydrochloride is CCc1cc(CC)[nH]c(=O)n1.Cl.
What is the InChIKey of 4,6-diethyl-1H-pyrimidin-2-one;hydrochloride?
The InChIKey is ZIRGBHZJYXLKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c1-3-6-5-7(4-2)10-8(11)9-6;/h5H,3-4H2,1-2H3,(H,9,10,11);1H.
What are the key properties of 4,6-diethyl-1H-pyrimidin-2-one;hydrochloride?
4,6-diethyl-1H-pyrimidin-2-one;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 1.32, 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;hydrochloride is sourced from PubChem (CID 68882752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).