N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H17F3N6 — CID 133378121

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133378121) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
• PubChem CID: 133378121
• Molecular Formula: C17H17F3N6
• Molecular Weight: 362.36 g/mol
• Exact Mass: 362.15
• IUPAC Name: N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
• SMILES: Cc1cc(CC(C)Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)n[nH]1
• InChI: InChI=1S/C17H17F3N6/c1-10(7-12-8-11(2)25-26-12)22-15-9-14(17(18,19)20)23-16(24-15)13-5-3-4-6-21-13/h3-6,8-10H,7H2,1-2H3,(H,25,26)(H,22,23,24)
• InChIKey: PTQZDYVDQAXGDN-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.36
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?

The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133378121) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?

The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(CC(C)Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)n[nH]1.

What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?

The InChIKey is PTQZDYVDQAXGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c1-10(7-12-8-11(2)25-26-12)22-15-9-14(17(18,19)20)23-16(24-15)13-5-3-4-6-21-13/h3-6,8-10H,7H2,1-2H3,(H,25,26)(H,22,23,24).

What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 362.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133378121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).