ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate

C14H15F3N4O2 — CID 56871621

IUPACethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1CCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4O2/c1-3-23-13(22)12-18-5-7-21(12)6-4-11-19-9(2)8-10(20-11)14(15,16)17/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPOWBOTPJPUTTCE-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.42
Rot. Bonds5

About ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate

ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate (PubChem CID 56871621) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate
PubChem CID56871621
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Nameethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1CCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4O2/c1-3-23-13(22)12-18-5-7-21(12)6-4-11-19-9(2)8-10(20-11)14(15,16)17/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPOWBOTPJPUTTCE-UHFFFAOYSA-N
XLogP2.42
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine
CID 56867673
ethyl 1-(methylsulfonylmethyl)imidazole-2-carboxylate
CID 151215685
ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate
CID 177061168
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030
ethyl 1-tert-butylimidazole-2-carboxylate
CID 132990489
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91777835
diethyl imidazole-1,2-dicarboxylate
CID 23185165
ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68683222
ethyl 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazole-2-carboxylate
CID 56866166
3-methoxy-1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-4-carboxamide
CID 71796959
2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 59096535
ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate
CID 166619240

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate?
The IUPAC name of ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate (CID 56871621) is ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate is CCOC(=O)c1nccn1CCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate?
The InChIKey is POWBOTPJPUTTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-3-23-13(22)12-18-5-7-21(12)6-4-11-19-9(2)8-10(20-11)14(15,16)17/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate?
ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate has a molecular weight of 328.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate is sourced from PubChem (CID 56871621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).