6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine

C9H12ClN3Si — CID 90232498

IUPAC6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine
SMILESC[Si](C)(C)C#Cc1c(N)ncnc1Cl
InChIInChI=1S/C9H12ClN3Si/c1-14(2,3)5-4-7-8(10)12-6-13-9(7)11/h6H,1-3H3,(H2,11,12,13)
InChIKeyKYIYIYKLYWJORG-UHFFFAOYSA-N
MW225.75 g/mol
LogP1.94
Rot. Bonds

About 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine

6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine (PubChem CID 90232498) has the molecular formula C9H12ClN3Si and a molecular weight of 225.75 g/mol. Its IUPAC name is 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine
PubChem CID90232498
Molecular FormulaC9H12ClN3Si
Molecular Weight225.75 g/mol
Exact Mass225.05
IUPAC Name6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine
SMILESC[Si](C)(C)C#Cc1c(N)ncnc1Cl
InChIInChI=1S/C9H12ClN3Si/c1-14(2,3)5-4-7-8(10)12-6-13-9(7)11/h6H,1-3H3,(H2,11,12,13)
InChIKeyKYIYIYKLYWJORG-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-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-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine (CID 90232498) is 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine is C[Si](C)(C)C#Cc1c(N)ncnc1Cl.
What is the InChIKey of 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine?
The InChIKey is KYIYIYKLYWJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3Si/c1-14(2,3)5-4-7-8(10)12-6-13-9(7)11/h6H,1-3H3,(H2,11,12,13).
What are the key properties of 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine?
6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine has a molecular weight of 225.75 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-trimethylsilylethynyl)pyrimidin-4-amine is sourced from PubChem (CID 90232498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).