4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine

C15H17F3N4O — CID 56867673

IUPAC4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(CCn2ccnc2C2CCOC2)n1
InChIInChI=1S/C15H17F3N4O/c1-10-8-12(15(16,17)18)21-13(20-10)2-5-22-6-4-19-14(22)11-3-7-23-9-11/h4,6,8,11H,2-3,5,7,9H2,1H3
InChIKeyGZGTZWLXWBHXTN-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.75
Rot. Bonds4

About 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine

4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine (PubChem CID 56867673) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine
PubChem CID56867673
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(CCn2ccnc2C2CCOC2)n1
InChIInChI=1S/C15H17F3N4O/c1-10-8-12(15(16,17)18)21-13(20-10)2-5-22-6-4-19-14(22)11-3-7-23-9-11/h4,6,8,11H,2-3,5,7,9H2,1H3
InChIKeyGZGTZWLXWBHXTN-UHFFFAOYSA-N
XLogP2.75
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole
CID 70760707
ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate
CID 56871621
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide
CID 95712319
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423118
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]oxolane-2-carboxamide
CID 91772807
(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 100681126
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 72889190
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70707369
(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 126452220
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
5-[2-(2-ethylimidazol-1-yl)ethyl]-3-(oxan-4-yl)-1-(oxolan-3-yl)-1,2,4-triazole
CID 138386417
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91777835

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine (CID 56867673) is 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(CCn2ccnc2C2CCOC2)n1.
What is the InChIKey of 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is GZGTZWLXWBHXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-10-8-12(15(16,17)18)21-13(20-10)2-5-22-6-4-19-14(22)11-3-7-23-9-11/h4,6,8,11H,2-3,5,7,9H2,1H3.
What are the key properties of 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine?
4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 326.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56867673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).