[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol

C26H31N11O2 — CID 118022378

About [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol

[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol (PubChem CID 118022378) has the molecular formula C26H31N11O2 and a molecular weight of 529.61 g/mol. Its IUPAC name is [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol.

Molecular Properties

• Compound Name: [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol
• PubChem CID: 118022378
• Molecular Formula: C26H31N11O2
• Molecular Weight: 529.61 g/mol
• Exact Mass: 529.27
• IUPAC Name: [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol
• SMILES: OC(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(CC5CNCCO5)c4)n3)CC2)nc1
• InChI: InChI=1S/C26H31N11O2/c38-23(19-4-2-1-3-5-19)20-12-28-25(29-13-20)35-7-9-36(10-8-35)26-31-18-30-24(34-26)33-21-14-32-37(16-21)17-22-15-27-6-11-39-22/h1-5,12-14,16,18,22-23,27,38H,6-11,15,17H2,(H,30,31,33,34)
• InChIKey: HXLWLKHANGVXOQ-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 142.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.61
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol?

The IUPAC name of [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol (CID 118022378) is [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol.

What is the SMILES notation for [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol?

The canonical SMILES for [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol is OC(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(CC5CNCCO5)c4)n3)CC2)nc1.

What is the InChIKey of [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol?

The InChIKey is HXLWLKHANGVXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N11O2/c38-23(19-4-2-1-3-5-19)20-12-28-25(29-13-20)35-7-9-36(10-8-35)26-31-18-30-24(34-26)33-21-14-32-37(16-21)17-22-15-27-6-11-39-22/h1-5,12-14,16,18,22-23,27,38H,6-11,15,17H2,(H,30,31,33,34).

What are the key properties of [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol?

[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol has a molecular weight of 529.61 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol is sourced from PubChem (CID 118022378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).