2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one

C9H14N2O3 — CID 103240666

IUPAC2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCCOC)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-7-10-8(12)6-9(11-7)14-5-4-13-2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyHEGKRSDJNRKKKY-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.36
Rot. Bonds5

About 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one

2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240666) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240666
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCCOC)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-7-10-8(12)6-9(11-7)14-5-4-13-2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyHEGKRSDJNRKKKY-UHFFFAOYSA-N
XLogP0.36
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.36
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-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4-(2,2-difluoropropoxy)-2-methyl-1H-pyrimidin-6-one
CID 157879767
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240403
2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240404
2-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240409
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241791
4-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794
4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241905
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one (CID 103240666) is 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one is CCc1nc(OCCOC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is HEGKRSDJNRKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-7-10-8(12)6-9(11-7)14-5-4-13-2/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).