5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine

C10H8ClF3N4 — CID 135187224

IUPAC5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine
SMILESCCn1cc(Cl)nc1-c1cncnc1C(F)(F)F
InChIInChI=1S/C10H8ClF3N4/c1-2-18-4-7(11)17-9(18)6-3-15-5-16-8(6)10(12,13)14/h3-5H,2H2,1H3
InChIKeyRYMRZYCFKVMYDS-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.03
Rot. Bonds2

About 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine

5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 135187224) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID135187224
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine
SMILESCCn1cc(Cl)nc1-c1cncnc1C(F)(F)F
InChIInChI=1S/C10H8ClF3N4/c1-2-18-4-7(11)17-9(18)6-3-15-5-16-8(6)10(12,13)14/h3-5H,2H2,1H3
InChIKeyRYMRZYCFKVMYDS-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine (CID 135187224) is 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine is CCn1cc(Cl)nc1-c1cncnc1C(F)(F)F.
What is the InChIKey of 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is RYMRZYCFKVMYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c1-2-18-4-7(11)17-9(18)6-3-15-5-16-8(6)10(12,13)14/h3-5H,2H2,1H3.
What are the key properties of 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine?
5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 276.65 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 135187224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).