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

C20H16F3N7 — CID 174189497

IUPAC2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(Cc2ncc(-c3nccc(N)n3)cn2)cc1
InChIInChI=1S/C20H16F3N7/c1-30-11-15(20(21,22)23)28-19(30)13-4-2-12(3-5-13)8-17-26-9-14(10-27-17)18-25-7-6-16(24)29-18/h2-7,9-11H,8H2,1H3,(H2,24,25,29)
InChIKeyGFMDIGZRNVZXPZ-UHFFFAOYSA-N
MW411.39 g/mol
LogP3.53
Rot. Bonds4

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

2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine (PubChem CID 174189497) has the molecular formula C20H16F3N7 and a molecular weight of 411.39 g/mol. Its IUPAC name is 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine
PubChem CID174189497
Molecular FormulaC20H16F3N7
Molecular Weight411.39 g/mol
Exact Mass411.14
IUPAC Name2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(Cc2ncc(-c3nccc(N)n3)cn2)cc1
InChIInChI=1S/C20H16F3N7/c1-30-11-15(20(21,22)23)28-19(30)13-4-2-12(3-5-13)8-17-26-9-14(10-27-17)18-25-7-6-16(24)29-18/h2-7,9-11H,8H2,1H3,(H2,24,25,29)
InChIKeyGFMDIGZRNVZXPZ-UHFFFAOYSA-N
XLogP3.53
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]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 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine?
The IUPAC name of 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine (CID 174189497) is 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine is Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2ncc(-c3nccc(N)n3)cn2)cc1.
What is the InChIKey of 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine?
The InChIKey is GFMDIGZRNVZXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7/c1-30-11-15(20(21,22)23)28-19(30)13-4-2-12(3-5-13)8-17-26-9-14(10-27-17)18-25-7-6-16(24)29-18/h2-7,9-11H,8H2,1H3,(H2,24,25,29).
What are the key properties of 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine?
2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine has a molecular weight of 411.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 174189497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).