4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one

C11H18N2O3 — CID 103240434

IUPAC4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCOCCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H18N2O3/c1-3-4-5-15-6-7-16-11-8-10(14)12-9(2)13-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyIUVKRAXWSCCRBU-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.27
Rot. Bonds7

About 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one

4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 103240434) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID103240434
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCOCCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H18N2O3/c1-3-4-5-15-6-7-16-11-8-10(14)12-9(2)13-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyIUVKRAXWSCCRBU-UHFFFAOYSA-N
XLogP1.27
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.27
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-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241916
2-methyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241927
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
CID 14279697
4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 20674308
4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one
CID 23525166
ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 161322465
4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 164856640
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
CID 166803033
2-Methyl-6-propoxypyrimidin-4(1H)-one
CID 45117351

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one (CID 103240434) is 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one is CCCCOCCOc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is IUVKRAXWSCCRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-4-5-15-6-7-16-11-8-10(14)12-9(2)13-11/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one?
4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).