methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate

C17H29N3O2Si — CID 22097379

IUPACmethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate
SMILESCCc1ncnc(NC2CCC([Si](C)(C)C)CC2)c1C(=O)OC
InChIInChI=1S/C17H29N3O2Si/c1-6-14-15(17(21)22-2)16(19-11-18-14)20-12-7-9-13(10-8-12)23(3,4)5/h11-13H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyVOHXZXOENSMJAM-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.89
Rot. Bonds5

About methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate

methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate (PubChem CID 22097379) has the molecular formula C17H29N3O2Si and a molecular weight of 335.52 g/mol. Its IUPAC name is methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate
PubChem CID22097379
Molecular FormulaC17H29N3O2Si
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Namemethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate
SMILESCCc1ncnc(NC2CCC([Si](C)(C)C)CC2)c1C(=O)OC
InChIInChI=1S/C17H29N3O2Si/c1-6-14-15(17(21)22-2)16(19-11-18-14)20-12-7-9-13(10-8-12)23(3,4)5/h11-13H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyVOHXZXOENSMJAM-UHFFFAOYSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate (CID 22097379) is methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate is CCc1ncnc(NC2CCC([Si](C)(C)C)CC2)c1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate?
The InChIKey is VOHXZXOENSMJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2Si/c1-6-14-15(17(21)22-2)16(19-11-18-14)20-12-7-9-13(10-8-12)23(3,4)5/h11-13H,6-10H2,1-5H3,(H,18,19,20).
What are the key properties of methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate?
methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate has a molecular weight of 335.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 22097379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).