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

C18H31N3O2Si — CID 22097380

IUPACethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(CC)ncnc1NC1CCC([Si](C)(C)C)CC1
InChIInChI=1S/C18H31N3O2Si/c1-6-15-16(18(22)23-7-2)17(20-12-19-15)21-13-8-10-14(11-9-13)24(3,4)5/h12-14H,6-11H2,1-5H3,(H,19,20,21)
InChIKeyAUEDLTBBFVQONX-UHFFFAOYSA-N
MW349.55 g/mol
LogP4.28
Rot. Bonds6

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

ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate (PubChem CID 22097380) has the molecular formula C18H31N3O2Si and a molecular weight of 349.55 g/mol. Its IUPAC name is ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate
PubChem CID22097380
Molecular FormulaC18H31N3O2Si
Molecular Weight349.55 g/mol
Exact Mass349.22
IUPAC Nameethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(CC)ncnc1NC1CCC([Si](C)(C)C)CC1
InChIInChI=1S/C18H31N3O2Si/c1-6-15-16(18(22)23-7-2)17(20-12-19-15)21-13-8-10-14(11-9-13)24(3,4)5/h12-14H,6-11H2,1-5H3,(H,19,20,21)
InChIKeyAUEDLTBBFVQONX-UHFFFAOYSA-N
XLogP4.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-5-methoxycarbonyl-4-(cis-4-trimethylsilylcyclohexylamino)pyrimidine
CID 22097379
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-methoxycarbonylpyrimidine
CID 22097403
Ethyl 4-[(4-tert-butylcyclohexyl)amino]-6-ethylpyrimidine-5-carboxylate
CID 22097408
Ethyl 4-(cycloheptylamino)-6-ethyl-2-methylsulfanylpyrimidine-5-carboxylate
CID 69321952
Propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 90100261
Ethyl 2-methyl-4-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride
CID 90101395
Ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate
CID 123749605
Ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride
CID 140688886
Ethyl 2,4-dimethyl-6-(piperidin-4-yl)pyrimidine-5-carboxylate
CID 140688887
Acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 144611087
Ethyl 4-ethyl-6-methylpyrimidine-5-carboxylate
CID 145617464
Ethyl 2-chloro-4-ethyl-6-(2-oxaspiro[3.5]nonan-7-ylamino)pyrimidine-5-carboxylate
CID 156776387

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate (CID 22097380) is ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate is CCOC(=O)c1c(CC)ncnc1NC1CCC([Si](C)(C)C)CC1.
What is the InChIKey of ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate?
The InChIKey is AUEDLTBBFVQONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2Si/c1-6-15-16(18(22)23-7-2)17(20-12-19-15)21-13-8-10-14(11-9-13)24(3,4)5/h12-14H,6-11H2,1-5H3,(H,19,20,21).
What are the key properties of ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate?
ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate has a molecular weight of 349.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-6-[(4-trimethylsilylcyclohexyl)amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 22097380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).