[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate

C21H30N6O6 — CID 16515152

About [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate

[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 16515152) has the molecular formula C21H30N6O6 and a molecular weight of 462.51 g/mol. Its IUPAC name is [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

• Compound Name: [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
• PubChem CID: 16515152
• Molecular Formula: C21H30N6O6
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.22
• IUPAC Name: [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
• SMILES: CCCCN(C(=O)COC(=O)c1ccc(=O)n(CCC)n1)c1c(N)n(CCC)c(=O)[nH]c1=O
• InChI: InChI=1S/C21H30N6O6/c1-4-7-12-25(17-18(22)26(10-5-2)21(32)23-19(17)30)16(29)13-33-20(31)14-8-9-15(28)27(24-14)11-6-3/h8-9H,4-7,10-13,22H2,1-3H3,(H,23,30,32)
• InChIKey: BHGIFQNNHMQKOL-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 162.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?

The IUPAC name of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate (CID 16515152) is [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate.

What is the SMILES notation for [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?

The canonical SMILES for [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate is CCCCN(C(=O)COC(=O)c1ccc(=O)n(CCC)n1)c1c(N)n(CCC)c(=O)[nH]c1=O.

What is the InChIKey of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?

The InChIKey is BHGIFQNNHMQKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O6/c1-4-7-12-25(17-18(22)26(10-5-2)21(32)23-19(17)30)16(29)13-33-20(31)14-8-9-15(28)27(24-14)11-6-3/h8-9H,4-7,10-13,22H2,1-3H3,(H,23,30,32).

What are the key properties of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?

[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 0.49, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 16515152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).