5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one

C10H16N2O3 — CID 103240483

IUPAC5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
SMILESCCC(C)(C)Oc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H16N2O3/c1-5-10(2,3)15-9-7(14-4)8(13)11-6-12-9/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyIUTZRSRNGJOPSS-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.35
Rot. Bonds4

About 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one

5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 103240483) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
PubChem CID103240483
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
SMILESCCC(C)(C)Oc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H16N2O3/c1-5-10(2,3)15-9-7(14-4)8(13)11-6-12-9/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyIUTZRSRNGJOPSS-UHFFFAOYSA-N
XLogP1.35
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
6-Amino-5-methoxypyrimidin-4(1H)-one
CID 136107868
5-methoxy-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240453
5-methoxy-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240473
4-hexoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240492
4,5-dimethoxy-1H-pyrimidin-6-one
CID 103240566
4-ethoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240575
4-(2-ethoxyethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103240585
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240664

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one (CID 103240483) is 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one is CCC(C)(C)Oc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is IUTZRSRNGJOPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-10(2,3)15-9-7(14-4)8(13)11-6-12-9/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).