ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C24H34FN5O4 — CID 93142402

About ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate

ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 93142402) has the molecular formula C24H34FN5O4 and a molecular weight of 475.57 g/mol. Its IUPAC name is ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
• PubChem CID: 93142402
• Molecular Formula: C24H34FN5O4
• Molecular Weight: 475.57 g/mol
• Exact Mass: 475.26
• IUPAC Name: ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
• SMILES: CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3F)NC(=O)N2CC)C[C@H]1C
• InChI: InChI=1S/C24H34FN5O4/c1-5-26-23(32)30-13-12-28(14-16(30)4)15-19-20(22(31)34-7-3)21(27-24(33)29(19)6-2)17-10-8-9-11-18(17)25/h8-11,16,21H,5-7,12-15H2,1-4H3,(H,26,32)(H,27,33)/t16-,21+/m1/s1
• InChIKey: MVBPTPYBOOIDLC-IERDGZPVSA-N
• XLogP: 2.46
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.57
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate?

The IUPAC name of ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 93142402) is ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

What is the SMILES notation for ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate?

The canonical SMILES for ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3F)NC(=O)N2CC)C[C@H]1C.

What is the InChIKey of ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate?

The InChIKey is MVBPTPYBOOIDLC-IERDGZPVSA-N. The full InChI is InChI=1S/C24H34FN5O4/c1-5-26-23(32)30-13-12-28(14-16(30)4)15-19-20(22(31)34-7-3)21(27-24(33)29(19)6-2)17-10-8-9-11-18(17)25/h8-11,16,21H,5-7,12-15H2,1-4H3,(H,26,32)(H,27,33)/t16-,21+/m1/s1.

What are the key properties of ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate?

ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 475.57 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-3-ethyl-4-[[(3R)-4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 93142402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).