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

C9H6ClF3N4 — CID 168800101

IUPAC2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(Cl)nc1
InChIInChI=1S/C9H6ClF3N4/c1-17-4-6(9(11,12)13)16-7(17)5-2-14-8(10)15-3-5/h2-4H,1H3
InChIKeyMRWFVOWYGQBYOC-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.55
Rot. Bonds1

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

2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine (PubChem CID 168800101) has the molecular formula C9H6ClF3N4 and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine
PubChem CID168800101
Molecular FormulaC9H6ClF3N4
Molecular Weight262.62 g/mol
Exact Mass262.02
IUPAC Name2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(Cl)nc1
InChIInChI=1S/C9H6ClF3N4/c1-17-4-6(9(11,12)13)16-7(17)5-2-14-8(10)15-3-5/h2-4H,1H3
InChIKeyMRWFVOWYGQBYOC-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine?
The IUPAC name of 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine (CID 168800101) is 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine is Cn1cc(C(F)(F)F)nc1-c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine?
The InChIKey is MRWFVOWYGQBYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4/c1-17-4-6(9(11,12)13)16-7(17)5-2-14-8(10)15-3-5/h2-4H,1H3.
What are the key properties of 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine?
2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine has a molecular weight of 262.62 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine is sourced from PubChem (CID 168800101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).