2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C19H28FN7 — CID 169170320

About 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 169170320) has the molecular formula C19H28FN7 and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 169170320
• Molecular Formula: C19H28FN7
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.24
• IUPAC Name: 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: CC1(F)CC(CN)CN(c2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1
• InChI: InChI=1S/C19H28FN7/c1-19(20)9-13(10-21)11-27(12-19)18-22-7-6-16(24-18)23-17-8-15(25-26-17)14-4-2-3-5-14/h6-8,13-14H,2-5,9-12,21H2,1H3,(H2,22,23,24,25,26)
• InChIKey: GZVBKMVONDIIPD-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 95.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The IUPAC name of 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 169170320) is 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

What is the SMILES notation for 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The canonical SMILES for 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CC1(F)CC(CN)CN(c2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1.

What is the InChIKey of 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The InChIKey is GZVBKMVONDIIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN7/c1-19(20)9-13(10-21)11-27(12-19)18-22-7-6-16(24-18)23-17-8-15(25-26-17)14-4-2-3-5-14/h6-8,13-14H,2-5,9-12,21H2,1H3,(H2,22,23,24,25,26).

What are the key properties of 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 373.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 169170320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).