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

C23H26N4O2 — CID 166705737

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

3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 166705737) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 166705737
• Molecular Formula: C23H26N4O2
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: 3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: CC1(C)CC(=O)N(Cc2cccc(C(=O)N[C@H]3CCc4ccccc43)c2)C(N)=N1
• InChI: InChI=1S/C23H26N4O2/c1-23(2)13-20(28)27(22(24)26-23)14-15-6-5-8-17(12-15)21(29)25-19-11-10-16-7-3-4-9-18(16)19/h3-9,12,19H,10-11,13-14H2,1-2H3,(H2,24,26)(H,25,29)/t19-/m0/s1
• InChIKey: KNKSEWMHCRCGGL-IBGZPJMESA-N
• XLogP: 2.93
• TPSA: 87.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 166705737) is 3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.

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

The canonical SMILES for 3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is CC1(C)CC(=O)N(Cc2cccc(C(=O)N[C@H]3CCc4ccccc43)c2)C(N)=N1.

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

The InChIKey is KNKSEWMHCRCGGL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O2/c1-23(2)13-20(28)27(22(24)26-23)14-15-6-5-8-17(12-15)21(29)25-19-11-10-16-7-3-4-9-18(16)19/h3-9,12,19H,10-11,13-14H2,1-2H3,(H2,24,26)(H,25,29)/t19-/m0/s1.

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

3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 166705737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).