4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one

C11H18N2O2 — CID 175647256

IUPAC4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one
SMILESCCc1cc(CC)n(CCCO)c(=O)n1
InChIInChI=1S/C11H18N2O2/c1-3-9-8-10(4-2)13(6-5-7-14)11(15)12-9/h8,14H,3-7H2,1-2H3
InChIKeyVAUYXZWWJXBARL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.75
Rot. Bonds5

About 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one

4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one (PubChem CID 175647256) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one.

Molecular Properties

Compound Name4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one
PubChem CID175647256
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one
SMILESCCc1cc(CC)n(CCCO)c(=O)n1
InChIInChI=1S/C11H18N2O2/c1-3-9-8-10(4-2)13(6-5-7-14)11(15)12-9/h8,14H,3-7H2,1-2H3
InChIKeyVAUYXZWWJXBARL-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxyethyl)-4,6-dimethyl-2(1H)-pyrimidinone
CID 121931
1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2(1H)-one hydrochloride
CID 6603213
3-(2-Hydroxyethyl)-1,4,6-trimethyl-2-oxo-2,3-dihydropyrimidinium iodide
CID 15787712
1-(3-Hydroxypropyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509825
1-(4-Hydroxybutyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509827
1-(5-Hydroxypentyl)-4,6-dimethyl-2-oxopyrimidine
CID 62228806
4,6-Diethyl-1-(2-hydroxyethyl)-2-oxopyrimidine
CID 175647249
1-(2-Hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride
CID 53346709
1,3-Bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-one chloride
CID 12097246
1,3-Bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-one
CID 12097247
1-(2-Hydroxyethyl)-3,4,6-trimethylpyrimidin-3-ium-2-one
CID 15787713
1-(3-Hydroxypropyl)-3,4,6-trimethylpyrimidin-3-ium-2-one
CID 59025358

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one?
The IUPAC name of 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one (CID 175647256) is 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one.
What is the SMILES notation for 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one?
The canonical SMILES for 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one is CCc1cc(CC)n(CCCO)c(=O)n1.
What is the InChIKey of 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one?
The InChIKey is VAUYXZWWJXBARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-9-8-10(4-2)13(6-5-7-14)11(15)12-9/h8,14H,3-7H2,1-2H3.
What are the key properties of 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one?
4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-1-(3-hydroxypropyl)pyrimidin-2-one is sourced from PubChem (CID 175647256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).