N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

C17H22N4O5 — CID 45118810

About N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (PubChem CID 45118810) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.

Molecular Properties

• Compound Name: N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
• PubChem CID: 45118810
• Molecular Formula: C17H22N4O5
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.16
• IUPAC Name: N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
• SMILES: CCCn1c(=O)c(NC(=O)C2C3CC4OC(=O)C2C4C3)c(N)n(C)c1=O
• InChI: InChI=1S/C17H22N4O5/c1-3-4-21-15(23)12(13(18)20(2)17(21)25)19-14(22)10-7-5-8-9(6-7)26-16(24)11(8)10/h7-11H,3-6,18H2,1-2H3,(H,19,22)
• InChIKey: ZSRRERQAFSKCJC-UHFFFAOYSA-N
• XLogP: -0.32
• TPSA: 125.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?

The IUPAC name of N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (CID 45118810) is N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.

What is the SMILES notation for N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?

The canonical SMILES for N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is CCCn1c(=O)c(NC(=O)C2C3CC4OC(=O)C2C4C3)c(N)n(C)c1=O.

What is the InChIKey of N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?

The InChIKey is ZSRRERQAFSKCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-3-4-21-15(23)12(13(18)20(2)17(21)25)19-14(22)10-7-5-8-9(6-7)26-16(24)11(8)10/h7-11H,3-6,18H2,1-2H3,(H,19,22).

What are the key properties of N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?

N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide has a molecular weight of 362.39 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is sourced from PubChem (CID 45118810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).