2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C11H18N2O3 — CID 136745764

IUPAC2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-3-16-7-5-10-12-8(2)9(4-6-14)11(15)13-10/h14H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyWTBSRYGHFJZLGC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.19
Rot. Bonds6

About 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136745764) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136745764
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-3-16-7-5-10-12-8(2)9(4-6-14)11(15)13-10/h14H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyWTBSRYGHFJZLGC-UHFFFAOYSA-N
XLogP0.19
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (2,6-dimethyl-3H-pyrimidin-4-on-5yl)acetate
CID 135459178
5-(2-hydroxyethyl)-2,6-dimethyl-1H-pyrimidin-4-one
CID 135459367
5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136219424
5-(2-hydroxyethyl)-4-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288777
2-[2-(2,2-difluoroethoxy)ethyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136842442
5-(2-hydroxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842443
2-[4-methyl-6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-5-yl]acetic acid
CID 136842488
5-(2-hydroxyethyl)-4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890425
5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136967815
2-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 137012994
2-tert-butyl-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136183337
2-Ethyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol
CID 136219449

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 136745764) is 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is CCOCCc1nc(C)c(CCO)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WTBSRYGHFJZLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-16-7-5-10-12-8(2)9(4-6-14)11(15)13-10/h14H,3-7H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136745764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).