5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C10H8ClF3N4 — CID 170633081

IUPAC5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C10H8ClF3N4/c1-6-17-8(10(12,13)14)4-18(6)5-9-15-2-7(11)3-16-9/h2-4H,5H2,1H3
InChIKeyLJAIJDBNNRWFLM-UHFFFAOYSA-N
MW276.65 g/mol
LogP2.70
Rot. Bonds2

About 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 170633081) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID170633081
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C10H8ClF3N4/c1-6-17-8(10(12,13)14)4-18(6)5-9-15-2-7(11)3-16-9/h2-4H,5H2,1H3
InChIKeyLJAIJDBNNRWFLM-UHFFFAOYSA-N
XLogP2.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Trifluoromethyl)imidazo[1,5-a]pyrazine
CID 34176321
6-Chloroimidazo[1,5-a]pyrazine
CID 130847064
8-Chloro-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
CID 135394528
8-Chloro-3-(difluoromethyl)imidazo[1,5-a]pyrazine
CID 177799288
N,N,2-trimethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-amine
CID 134862830
2-(2-Methyl-1H-imidazol-1-YL)pyrimidine
CID 11974107
1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
CID 97466934
5-chloro-2-(4-(1-methyl-1H-imidazol-2-yl)piperazin-1-yl)pyrimidine
CID 119103606
5-chloro-N-[(1-isobutyl-1H-imidazol-5-yl)methyl]pyrimidin-2-amine
CID 132421530
2-Chloro-5-fluoro-4-(2-methylimidazolyl)pyrimidine
CID 4461606
5-Chloro-3-(2,3-dimethylimidazol-4-yl)-2-fluoropyrazine
CID 57664666
2-[4-(Trifluoromethyl)imidazol-1-yl]pyrimidin-5-amine
CID 68157299

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 170633081) is 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cc1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is LJAIJDBNNRWFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c1-6-17-8(10(12,13)14)4-18(6)5-9-15-2-7(11)3-16-9/h2-4H,5H2,1H3.
What are the key properties of 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 276.65 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 170633081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).