N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine

C10H10F3N5 — CID 69387530

IUPACN-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine
SMILESCCn1c(Nc2ncccn2)cnc1C(F)(F)F
InChIInChI=1S/C10H10F3N5/c1-2-18-7(6-16-8(18)10(11,12)13)17-9-14-4-3-5-15-9/h3-6H,2H2,1H3,(H,14,15,17)
InChIKeyAOVXZMMYAZPIRK-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.46
Rot. Bonds3

About N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine

N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 69387530) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID69387530
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine
SMILESCCn1c(Nc2ncccn2)cnc1C(F)(F)F
InChIInChI=1S/C10H10F3N5/c1-2-18-7(6-16-8(18)10(11,12)13)17-9-14-4-3-5-15-9/h3-6H,2H2,1H3,(H,14,15,17)
InChIKeyAOVXZMMYAZPIRK-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine (CID 69387530) is N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine is CCn1c(Nc2ncccn2)cnc1C(F)(F)F.
What is the InChIKey of N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is AOVXZMMYAZPIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-2-18-7(6-16-8(18)10(11,12)13)17-9-14-4-3-5-15-9/h3-6H,2H2,1H3,(H,14,15,17).
What are the key properties of N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine?
N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 257.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 69387530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).