5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

C10H17N3O3 — CID 106451665

IUPAC5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O3/c1-7(2)5-15-3-4-16-10-8(11)9(14)12-6-13-10/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyDXCWLTATIBYBLI-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.40
Rot. Bonds6

About 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 106451665) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID106451665
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O3/c1-7(2)5-15-3-4-16-10-8(11)9(14)12-6-13-10/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyDXCWLTATIBYBLI-UHFFFAOYSA-N
XLogP0.40
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-[2-(2-methylpropoxy)ethoxy]-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 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (CID 106451665) is 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is CC(C)COCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is DXCWLTATIBYBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)5-15-3-4-16-10-8(11)9(14)12-6-13-10/h6-7H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 106451665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).