3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide

C29H36N4O4 — CID 170158802

About 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide

3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide (PubChem CID 170158802) has the molecular formula C29H36N4O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide.

Molecular Properties

• Compound Name: 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide
• PubChem CID: 170158802
• Molecular Formula: C29H36N4O4
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.27
• IUPAC Name: 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide
• SMILES: CCC1(C)CC(=O)N(C(CCOC)c2cccc(C(=O)NC3c4ccccc4C4(CC4)C3O)c2)C(N)=N1
• InChI: InChI=1S/C29H36N4O4/c1-4-28(2)17-23(34)33(27(30)32-28)22(12-15-37-3)18-8-7-9-19(16-18)26(36)31-24-20-10-5-6-11-21(20)29(13-14-29)25(24)35/h5-11,16,22,24-25,35H,4,12-15,17H2,1-3H3,(H2,30,32)(H,31,36)
• InChIKey: NLORVRXERFXWRI-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 117.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide?

The IUPAC name of 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide (CID 170158802) is 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide.

What is the SMILES notation for 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide?

The canonical SMILES for 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide is CCC1(C)CC(=O)N(C(CCOC)c2cccc(C(=O)NC3c4ccccc4C4(CC4)C3O)c2)C(N)=N1.

What is the InChIKey of 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide?

The InChIKey is NLORVRXERFXWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4/c1-4-28(2)17-23(34)33(27(30)32-28)22(12-15-37-3)18-8-7-9-19(16-18)26(36)31-24-20-10-5-6-11-21(20)29(13-14-29)25(24)35/h5-11,16,22,24-25,35H,4,12-15,17H2,1-3H3,(H2,30,32)(H,31,36).

What are the key properties of 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide?

3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide has a molecular weight of 504.63 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)benzamide is sourced from PubChem (CID 170158802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).