5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one

C8H14N2O — CID 174307457

IUPAC5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC1=C(CC)NC(=O)NC1
InChIInChI=1S/C8H14N2O/c1-3-6-5-9-8(11)10-7(6)4-2/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyIRNWJLZXHPUYGW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.37
Rot. Bonds2

About 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one

5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 174307457) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID174307457
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC1=C(CC)NC(=O)NC1
InChIInChI=1S/C8H14N2O/c1-3-6-5-9-8(11)10-7(6)4-2/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyIRNWJLZXHPUYGW-UHFFFAOYSA-N
XLogP1.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;imidazolidine-2,4-dione
CID 90911393
6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one
CID 70667172
copper;imidazolidine-2,4-dione
CID 67120841
imidazolidine-2,4-dione;trihydrate
CID 70617866
aziridin-2-one
CID 158991665
bis[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl] (E)-but-2-enedioate
CID 27922681
ethyl propanoate;imidazolidine-2,4-dione
CID 174888104
(3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one
CID 70667187
ethyl 6-(azocan-1-ium-1-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8550075
acetamide;imidazolidine-2,4-dione
CID 159110028
dodecanoic acid;imidazolidine-2,4-dione
CID 174508085
1,3-diazinane-2,4-dione;ethylphosphane
CID 175109372

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one (CID 174307457) is 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one is CCC1=C(CC)NC(=O)NC1.
What is the InChIKey of 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is IRNWJLZXHPUYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-6-5-9-8(11)10-7(6)4-2/h3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one?
5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 174307457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).