4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one

C10H16N2O3 — CID 106669388

IUPAC4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCOC(C)(C)CCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O3/c1-10(2,14-3)4-5-15-9-6-8(13)11-7-12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyGUBPTIVYEDYITG-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.96
Rot. Bonds5

About 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one

4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one (PubChem CID 106669388) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
PubChem CID106669388
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCOC(C)(C)CCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O3/c1-10(2,14-3)4-5-15-9-6-8(13)11-7-12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyGUBPTIVYEDYITG-UHFFFAOYSA-N
XLogP0.96
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240436
4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240458
4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240476
4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240487
4-hexoxy-1H-pyrimidin-6-one
CID 103240497
4-propan-2-yloxy-1H-pyrimidin-6-one
CID 103240689
4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
CID 103240733
4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
CID 103240778

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one (CID 106669388) is 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one is COC(C)(C)CCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
The InChIKey is GUBPTIVYEDYITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,14-3)4-5-15-9-6-8(13)11-7-12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 106669388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).