N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine

C15H20F3N5 — CID 177142043

IUPACN-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)nc1
InChIInChI=1S/C15H20F3N5/c1-9(2)19-5-11-6-20-13(21-7-11)14-22-12(15(16,17)18)8-23(14)10(3)4/h6-10,19H,5H2,1-4H3
InChIKeyUBLCMVARWAGJIM-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.44
Rot. Bonds5

About N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine

N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 177142043) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID177142043
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC NameN-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)nc1
InChIInChI=1S/C15H20F3N5/c1-9(2)19-5-11-6-20-13(21-7-11)14-22-12(15(16,17)18)8-23(14)10(3)4/h6-10,19H,5H2,1-4H3
InChIKeyUBLCMVARWAGJIM-UHFFFAOYSA-N
XLogP3.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-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-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine (CID 177142043) is N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)nc1.
What is the InChIKey of N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is UBLCMVARWAGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-9(2)19-5-11-6-20-13(21-7-11)14-22-12(15(16,17)18)8-23(14)10(3)4/h6-10,19H,5H2,1-4H3.
What are the key properties of N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 327.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 177142043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).