2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

C9H14N2O3 — CID 102927147

IUPAC2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nccc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-13-6-7-14-5-3-8-10-4-2-9(12)11-8/h2,4H,3,5-7H2,1H3,(H,10,11,12)
InChIKeyYDLNXQHYQLLHML-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.02
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 102927147) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID102927147
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nccc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-13-6-7-14-5-3-8-10-4-2-9(12)11-8/h2,4H,3,5-7H2,1H3,(H,10,11,12)
InChIKeyYDLNXQHYQLLHML-UHFFFAOYSA-N
XLogP-0.02
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3H-pyrimidin-4-one
CID 295880
2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146592
2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146593
6-amino-2-(2-methoxyethyl)pyrimidin-4(3H)-one
CID 135629496
2-(2-Hydroxyethyl)pyrimidin-4-ol
CID 21699607
2-(Ethoxymethyl)pyrimidin-4-ol
CID 65667549
Isopropyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 91042281
Ethyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 133059206
4-Amino-2-(2-ethoxyethyl)pyrimid-6-one
CID 136354624
2-[(2-ethyl-1,3-dioxolan-2-yl)methyl]-1H-pyrimidin-6-one
CID 140431559
ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one
CID 142179573
2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one
CID 156818662

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 102927147) is 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is COCCOCCc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is YDLNXQHYQLLHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-13-6-7-14-5-3-8-10-4-2-9(12)11-8/h2,4H,3,5-7H2,1H3,(H,10,11,12).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102927147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).