N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H10F3N5 — CID 59728209

IUPACN-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(Cc1cnc[nH]1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5/c1-18(5-7-4-14-6-16-7)8-2-3-15-9(17-8)10(11,12)13/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyKBYIGTQYWKNHBI-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.85
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 59728209) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID59728209
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(Cc1cnc[nH]1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5/c1-18(5-7-4-14-6-16-7)8-2-3-15-9(17-8)10(11,12)13/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyKBYIGTQYWKNHBI-UHFFFAOYSA-N
XLogP1.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine 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 N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 59728209) is N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CN(Cc1cnc[nH]1)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KBYIGTQYWKNHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-18(5-7-4-14-6-16-7)8-2-3-15-9(17-8)10(11,12)13/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 257.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 59728209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).