2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine

C10H11F3N6 — CID 90462316

IUPAC2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine
SMILESNc1nc(CCn2ccnc2)nc(C(F)(F)F)c1N
InChIInChI=1S/C10H11F3N6/c11-10(12,13)8-7(14)9(15)18-6(17-8)1-3-19-4-2-16-5-19/h2,4-5H,1,3,14H2,(H2,15,17,18)
InChIKeyAPMKZUGAYIAHFM-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.10
Rot. Bonds3

About 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine

2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine (PubChem CID 90462316) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine
PubChem CID90462316
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine
SMILESNc1nc(CCn2ccnc2)nc(C(F)(F)F)c1N
InChIInChI=1S/C10H11F3N6/c11-10(12,13)8-7(14)9(15)18-6(17-8)1-3-19-4-2-16-5-19/h2,4-5H,1,3,14H2,(H2,15,17,18)
InChIKeyAPMKZUGAYIAHFM-UHFFFAOYSA-N
XLogP1.10
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine (CID 90462316) is 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine is Nc1nc(CCn2ccnc2)nc(C(F)(F)F)c1N.
What is the InChIKey of 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The InChIKey is APMKZUGAYIAHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c11-10(12,13)8-7(14)9(15)18-6(17-8)1-3-19-4-2-16-5-19/h2,4-5H,1,3,14H2,(H2,15,17,18).
What are the key properties of 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine?
2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine has a molecular weight of 272.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethyl)-6-(trifluoromethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 90462316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).