N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine

C28H33N11O — CID 118031598

About N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine

N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 118031598) has the molecular formula C28H33N11O and a molecular weight of 539.65 g/mol. Its IUPAC name is N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
• PubChem CID: 118031598
• Molecular Formula: C28H33N11O
• Molecular Weight: 539.65 g/mol
• Exact Mass: 539.29
• IUPAC Name: N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
• SMILES: c1ccc(C2(c3cnc(N4CCN(c5ncnc(Nc6cnn(C[C@@H]7CNCCO7)c6)n5)CC4)nc3)CC2)cc1
• InChI: InChI=1S/C28H33N11O/c1-2-4-21(5-3-1)28(6-7-28)22-14-30-26(31-15-22)37-9-11-38(12-10-37)27-33-20-32-25(36-27)35-23-16-34-39(18-23)19-24-17-29-8-13-40-24/h1-5,14-16,18,20,24,29H,6-13,17,19H2,(H,32,33,35,36)/t24-/m0/s1
• InChIKey: XAQOVRIQGUGCDI-DEOSSOPVSA-N
• XLogP: 2.00
• TPSA: 122.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.65
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The IUPAC name of N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine (CID 118031598) is N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine.

What is the SMILES notation for N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The canonical SMILES for N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine is c1ccc(C2(c3cnc(N4CCN(c5ncnc(Nc6cnn(C[C@@H]7CNCCO7)c6)n5)CC4)nc3)CC2)cc1.

What is the InChIKey of N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The InChIKey is XAQOVRIQGUGCDI-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H33N11O/c1-2-4-21(5-3-1)28(6-7-28)22-14-30-26(31-15-22)37-9-11-38(12-10-37)27-33-20-32-25(36-27)35-23-16-34-39(18-23)19-24-17-29-8-13-40-24/h1-5,14-16,18,20,24,29H,6-13,17,19H2,(H,32,33,35,36)/t24-/m0/s1.

What are the key properties of N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?

N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 539.65 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 118031598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).