4-(4-methylpentoxy)-1H-pyrimidin-6-one

C10H16N2O2 — CID 103240476

IUPAC4-(4-methylpentoxy)-1H-pyrimidin-6-one
SMILESCC(C)CCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O2/c1-8(2)4-3-5-14-10-6-9(13)11-7-12-10/h6-8H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyGJMJMYQOGXOGOF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.58
Rot. Bonds5

About 4-(4-methylpentoxy)-1H-pyrimidin-6-one

4-(4-methylpentoxy)-1H-pyrimidin-6-one (PubChem CID 103240476) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(4-methylpentoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylpentoxy)-1H-pyrimidin-6-one
PubChem CID103240476
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(4-methylpentoxy)-1H-pyrimidin-6-one
SMILESCC(C)CCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O2/c1-8(2)4-3-5-14-10-6-9(13)11-7-12-10/h6-8H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyGJMJMYQOGXOGOF-UHFFFAOYSA-N
XLogP1.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(Cyclohexylmethoxy)pyrimidin-4-ol
CID 103241610
4-octoxy-1H-pyrimidin-6-one
CID 20559619
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-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240464
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240474
4-hexoxy-1H-pyrimidin-6-one
CID 103240497

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylpentoxy)-1H-pyrimidin-6-one (CID 103240476) is 4-(4-methylpentoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylpentoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylpentoxy)-1H-pyrimidin-6-one is CC(C)CCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4-methylpentoxy)-1H-pyrimidin-6-one?
The InChIKey is GJMJMYQOGXOGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(2)4-3-5-14-10-6-9(13)11-7-12-10/h6-8H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 4-(4-methylpentoxy)-1H-pyrimidin-6-one?
4-(4-methylpentoxy)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).