5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine

C18H26ClN3Si — CID 18948857

IUPAC5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(CC)c2ccc([Si](C)(C)C)cc2)c1Cl
InChIInChI=1S/C18H26ClN3Si/c1-6-15(13-8-10-14(11-9-13)23(3,4)5)22-18-17(19)16(7-2)20-12-21-18/h8-12,15H,6-7H2,1-5H3,(H,20,21,22)
InChIKeyHSLJUCVUHJODMP-UHFFFAOYSA-N
MW347.97 g/mol
LogP4.80
Rot. Bonds6

About 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine

5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine (PubChem CID 18948857) has the molecular formula C18H26ClN3Si and a molecular weight of 347.97 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine
PubChem CID18948857
Molecular FormulaC18H26ClN3Si
Molecular Weight347.97 g/mol
Exact Mass347.16
IUPAC Name5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(CC)c2ccc([Si](C)(C)C)cc2)c1Cl
InChIInChI=1S/C18H26ClN3Si/c1-6-15(13-8-10-14(11-9-13)23(3,4)5)22-18-17(19)16(7-2)20-12-21-18/h8-12,15H,6-7H2,1-5H3,(H,20,21,22)
InChIKeyHSLJUCVUHJODMP-UHFFFAOYSA-N
XLogP4.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]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 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine (CID 18948857) is 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine is CCc1ncnc(NC(CC)c2ccc([Si](C)(C)C)cc2)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine?
The InChIKey is HSLJUCVUHJODMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3Si/c1-6-15(13-8-10-14(11-9-13)23(3,4)5)22-18-17(19)16(7-2)20-12-21-18/h8-12,15H,6-7H2,1-5H3,(H,20,21,22).
What are the key properties of 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine?
5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine has a molecular weight of 347.97 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 18948857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).