N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine

C22H21F3N4O — CID 118307603

IUPACN-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(OC3CCNCC3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)20-8-11-27-21(29-20)28-17-12-16(15-4-2-1-3-5-15)13-19(14-17)30-18-6-9-26-10-7-18/h1-5,8,11-14,18,26H,6-7,9-10H2,(H,27,28,29)
InChIKeyKGQYHDBMBYDVPT-UHFFFAOYSA-N
MW414.43 g/mol
LogP5.04
Rot. Bonds5

About N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 118307603) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID118307603
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC NameN-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(OC3CCNCC3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)20-8-11-27-21(29-20)28-17-12-16(15-4-2-1-3-5-15)13-19(14-17)30-18-6-9-26-10-7-18/h1-5,8,11-14,18,26H,6-7,9-10H2,(H,27,28,29)
InChIKeyKGQYHDBMBYDVPT-UHFFFAOYSA-N
XLogP5.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-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-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 118307603) is N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(Nc2cc(OC3CCNCC3)cc(-c3ccccc3)c2)n1.
What is the InChIKey of N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KGQYHDBMBYDVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c23-22(24,25)20-8-11-27-21(29-20)28-17-12-16(15-4-2-1-3-5-15)13-19(14-17)30-18-6-9-26-10-7-18/h1-5,8,11-14,18,26H,6-7,9-10H2,(H,27,28,29).
What are the key properties of N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 414.43 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 118307603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).