4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one

C11H16N2O2 — CID 103240828

IUPAC4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N2O2/c1-2-3-6-15-10-7-9(14)12-11(13-10)8-4-5-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyBUGNSKDFIPZFAW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.83
Rot. Bonds5

About 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one

4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 103240828) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID103240828
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N2O2/c1-2-3-6-15-10-7-9(14)12-11(13-10)8-4-5-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyBUGNSKDFIPZFAW-UHFFFAOYSA-N
XLogP1.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butoxy-2-cyclopropyl-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

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one (CID 103240828) is 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one is CCCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is BUGNSKDFIPZFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-6-15-10-7-9(14)12-11(13-10)8-4-5-8/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one?
4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).