2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one

C9H14N2O3 — CID 178102906

IUPAC2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCOCCO)n1
InChIInChI=1S/C9H14N2O3/c1-7-6-9(13)11-8(10-7)2-4-14-5-3-12/h6,12H,2-5H2,1H3,(H,10,11,13)
InChIKeyNHKAHKFTBMRNQN-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.37
Rot. Bonds5

About 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one

2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 178102906) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID178102906
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCOCCO)n1
InChIInChI=1S/C9H14N2O3/c1-7-6-9(13)11-8(10-7)2-4-14-5-3-12/h6,12H,2-5H2,1H3,(H,10,11,13)
InChIKeyNHKAHKFTBMRNQN-UHFFFAOYSA-N
XLogP-0.37
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.37
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

4(3H)-Pyrimidinone, 2-(2-hydroxy-1-methylethyl)-6-methyl-
CID 135618154
5-fluoro-2-[2-(2-methoxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136780889
2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136842422
4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842423
2-(3-Hydroxypropyl)-6-methylpyrimidin-4(3H)-one
CID 155896752
2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate
CID 178102966
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927163
2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
CID 103240759
2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106814934
2-(2-Methoxyethyl)-6-methyl-4(3H)-pyrimidinone
CID 136043697
2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136713682
2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136730170

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one (CID 178102906) is 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CCOCCO)n1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is NHKAHKFTBMRNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7-6-9(13)11-8(10-7)2-4-14-5-3-12/h6,12H,2-5H2,1H3,(H,10,11,13).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 178102906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).