(2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol

C26H31FN4O — CID 93226399

About (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol

(2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol (PubChem CID 93226399) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol
• PubChem CID: 93226399
• Molecular Formula: C26H31FN4O
• Molecular Weight: 434.56 g/mol
• Exact Mass: 434.25
• IUPAC Name: (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol
• SMILES: CCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](C)O)CC2)c1Cc1ccc(F)cc1
• InChI: InChI=1S/C26H31FN4O/c1-3-24-23(17-20-9-11-22(27)12-10-20)26(29-25(28-24)21-7-5-4-6-8-21)31-15-13-30(14-16-31)18-19(2)32/h4-12,19,32H,3,13-18H2,1-2H3/t19-/m0/s1
• InChIKey: HJOZPBKDNSIENQ-IBGZPJMESA-N
• XLogP: 3.94
• TPSA: 52.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.56
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol?

The IUPAC name of (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol (CID 93226399) is (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol.

What is the SMILES notation for (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol?

The canonical SMILES for (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol is CCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](C)O)CC2)c1Cc1ccc(F)cc1.

What is the InChIKey of (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol?

The InChIKey is HJOZPBKDNSIENQ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H31FN4O/c1-3-24-23(17-20-9-11-22(27)12-10-20)26(29-25(28-24)21-7-5-4-6-8-21)31-15-13-30(14-16-31)18-19(2)32/h4-12,19,32H,3,13-18H2,1-2H3/t19-/m0/s1.

What are the key properties of (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol?

(2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 434.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 93226399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).