2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine

C18H23F3N4O — CID 56867904

IUPAC2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(CCn2ccnc2C2CCOC(C)(C)C2)n1
InChIInChI=1S/C18H23F3N4O/c1-12-10-14(18(19,20)21)24-15(23-12)4-7-25-8-6-22-16(25)13-5-9-26-17(2,3)11-13/h6,8,10,13H,4-5,7,9,11H2,1-3H3
InChIKeyLEXCJAWYICWUQB-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.92
Rot. Bonds4

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

2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 56867904) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID56867904
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(CCn2ccnc2C2CCOC(C)(C)C2)n1
InChIInChI=1S/C18H23F3N4O/c1-12-10-14(18(19,20)21)24-15(23-12)4-7-25-8-6-22-16(25)13-5-9-26-17(2,3)11-13/h6,8,10,13H,4-5,7,9,11H2,1-3H3
InChIKeyLEXCJAWYICWUQB-UHFFFAOYSA-N
XLogP3.92
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine (CID 56867904) is 2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(CCn2ccnc2C2CCOC(C)(C)C2)n1.
What is the InChIKey of 2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is LEXCJAWYICWUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-12-10-14(18(19,20)21)24-15(23-12)4-7-25-8-6-22-16(25)13-5-9-26-17(2,3)11-13/h6,8,10,13H,4-5,7,9,11H2,1-3H3.
What are the key properties of 2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 368.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56867904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).