4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one

C10H16N2O2 — CID 103241778

IUPAC4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
SMILESCC(C)(C)CCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)4-5-14-9-6-8(13)11-7-12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyJQRWNVCZUASTKD-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.58
Rot. Bonds3

About 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one

4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one (PubChem CID 103241778) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
PubChem CID103241778
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
SMILESCC(C)(C)CCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)4-5-14-9-6-8(13)11-7-12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyJQRWNVCZUASTKD-UHFFFAOYSA-N
XLogP1.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2,3-trifluorobutoxy)-1H-pyrimidin-6-one
CID 159056896
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-heptoxy-1H-pyrimidin-6-one
CID 103240427
4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240436
4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240458
4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240464
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one (CID 103241778) is 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one is CC(C)(C)CCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one?
The InChIKey is JQRWNVCZUASTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)4-5-14-9-6-8(13)11-7-12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one?
4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).