3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide

C27H34N4O2 — CID 166705756

About 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide

3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 166705756) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 166705756
• Molecular Formula: C27H34N4O2
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.27
• IUPAC Name: 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: CC[C@H](c1cccc(C(=O)N[C@H]2CCc3ccccc32)c1)N1C(=O)CC(CC)(CC)N=C1N
• InChI: InChI=1S/C27H34N4O2/c1-4-23(31-24(32)17-27(5-2,6-3)30-26(31)28)19-11-9-12-20(16-19)25(33)29-22-15-14-18-10-7-8-13-21(18)22/h7-13,16,22-23H,4-6,14-15,17H2,1-3H3,(H2,28,30)(H,29,33)/t22-,23+/m0/s1
• InChIKey: FNPHQDFUWLETAQ-XZOQPEGZSA-N
• XLogP: 4.66
• TPSA: 87.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 166705756) is 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is CC[C@H](c1cccc(C(=O)N[C@H]2CCc3ccccc32)c1)N1C(=O)CC(CC)(CC)N=C1N.

What is the InChIKey of 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is FNPHQDFUWLETAQ-XZOQPEGZSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-23(31-24(32)17-27(5-2,6-3)30-26(31)28)19-11-9-12-20(16-19)25(33)29-22-15-14-18-10-7-8-13-21(18)22/h7-13,16,22-23H,4-6,14-15,17H2,1-3H3,(H2,28,30)(H,29,33)/t22-,23+/m0/s1.

What are the key properties of 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?

3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 446.60 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 166705756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).