(2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol

C26H31FN4O — CID 93226140

About (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol

(2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol (PubChem CID 93226140) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol
• PubChem CID: 93226140
• Molecular Formula: C26H31FN4O
• Molecular Weight: 434.56 g/mol
• Exact Mass: 434.25
• IUPAC Name: (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol
• SMILES: Cc1nc(C)c(Cc2ccc(F)cc2)c(N2CCN(C[C@H](O)Cc3ccccc3)CC2)n1
• InChI: InChI=1S/C26H31FN4O/c1-19-25(17-22-8-10-23(27)11-9-22)26(29-20(2)28-19)31-14-12-30(13-15-31)18-24(32)16-21-6-4-3-5-7-21/h3-11,24,32H,12-18H2,1-2H3/t24-/m1/s1
• InChIKey: RKMGWLGEJCHGGF-XMMPIXPASA-N
• XLogP: 3.55
• 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	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol?

The IUPAC name of (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol (CID 93226140) is (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol.

What is the SMILES notation for (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol?

The canonical SMILES for (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol is Cc1nc(C)c(Cc2ccc(F)cc2)c(N2CCN(C[C@H](O)Cc3ccccc3)CC2)n1.

What is the InChIKey of (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol?

The InChIKey is RKMGWLGEJCHGGF-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31FN4O/c1-19-25(17-22-8-10-23(27)11-9-22)26(29-20(2)28-19)31-14-12-30(13-15-31)18-24(32)16-21-6-4-3-5-7-21/h3-11,24,32H,12-18H2,1-2H3/t24-/m1/s1.

What are the key properties of (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol?

(2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol has a molecular weight of 434.56 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol is sourced from PubChem (CID 93226140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).