N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C23H25N5O5 — CID 121120476

About N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121120476) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
• PubChem CID: 121120476
• Molecular Formula: C23H25N5O5
• Molecular Weight: 451.48 g/mol
• Exact Mass: 451.19
• IUPAC Name: N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
• SMILES: COc1ccc(-n2c(=O)[nH]cc(C(=O)NCCn3cnc(C4CCCC4)cc3=O)c2=O)cc1
• InChI: InChI=1S/C23H25N5O5/c1-33-17-8-6-16(7-9-17)28-22(31)18(13-25-23(28)32)21(30)24-10-11-27-14-26-19(12-20(27)29)15-4-2-3-5-15/h6-9,12-15H,2-5,10-11H2,1H3,(H,24,30)(H,25,32)
• InChIKey: LAHRQGPVWDQAPS-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 128.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.48
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121120476) is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccc(-n2c(=O)[nH]cc(C(=O)NCCn3cnc(C4CCCC4)cc3=O)c2=O)cc1.

What is the InChIKey of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The InChIKey is LAHRQGPVWDQAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-33-17-8-6-16(7-9-17)28-22(31)18(13-25-23(28)32)21(30)24-10-11-27-14-26-19(12-20(27)29)15-4-2-3-5-15/h6-9,12-15H,2-5,10-11H2,1H3,(H,24,30)(H,25,32).

What are the key properties of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121120476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).