6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione

C25H29N5O4 — CID 2086357

About 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione

6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione (PubChem CID 2086357) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
• PubChem CID: 2086357
• Molecular Formula: C25H29N5O4
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.22
• IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
• SMILES: CCn1c(=O)c(C(=O)CN2CCN(c3ccccc3O)CC2)c(N)n(Cc2ccccc2)c1=O
• InChI: InChI=1S/C25H29N5O4/c1-2-29-24(33)22(23(26)30(25(29)34)16-18-8-4-3-5-9-18)21(32)17-27-12-14-28(15-13-27)19-10-6-7-11-20(19)31/h3-11,31H,2,12-17,26H2,1H3
• InChIKey: IWUDCQDMNBJNBM-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 113.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione?

The IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione (CID 2086357) is 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione?

The canonical SMILES for 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCN(c3ccccc3O)CC2)c(N)n(Cc2ccccc2)c1=O.

What is the InChIKey of 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione?

The InChIKey is IWUDCQDMNBJNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-2-29-24(33)22(23(26)30(25(29)34)16-18-8-4-3-5-9-18)21(32)17-27-12-14-28(15-13-27)19-10-6-7-11-20(19)31/h3-11,31H,2,12-17,26H2,1H3.

What are the key properties of 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione?

6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione has a molecular weight of 463.54 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2086357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).