6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine

C11H15N3O — CID 106795508

IUPAC6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
SMILESC#CCCOc1ncnc(NCC)c1C
InChIInChI=1S/C11H15N3O/c1-4-6-7-15-11-9(3)10(12-5-2)13-8-14-11/h1,8H,5-7H2,2-3H3,(H,12,13,14)
InChIKeyFRAGYMFTOBRTCA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.62
Rot. Bonds5

About 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine

6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 106795508) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID106795508
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
SMILESC#CCCOc1ncnc(NCC)c1C
InChIInChI=1S/C11H15N3O/c1-4-6-7-15-11-9(3)10(12-5-2)13-8-14-11/h1,8H,5-7H2,2-3H3,(H,12,13,14)
InChIKeyFRAGYMFTOBRTCA-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine 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 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine (CID 106795508) is 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine is C#CCCOc1ncnc(NCC)c1C.
What is the InChIKey of 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is FRAGYMFTOBRTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-6-7-15-11-9(3)10(12-5-2)13-8-14-11/h1,8H,5-7H2,2-3H3,(H,12,13,14).
What are the key properties of 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine?
6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106795508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).