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

C34H38N4O2 — CID 166707570

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

3-[(1R)-1-[(4R)-2-amino-4-(cyclopropylmethyl)-6-oxo-4-phenyl-5H-pyrimidin-1-yl]butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 166707570) has the molecular formula C34H38N4O2 and a molecular weight of 534.70 g/mol. Its IUPAC name is 3-[(1R)-1-[(4R)-2-amino-4-(cyclopropylmethyl)-6-oxo-4-phenyl-5H-pyrimidin-1-yl]butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(1R)-1-[(4R)-2-amino-4-(cyclopropylmethyl)-6-oxo-4-phenyl-5H-pyrimidin-1-yl]butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 166707570
• Molecular Formula: C34H38N4O2
• Molecular Weight: 534.70 g/mol
• Exact Mass: 534.30
• IUPAC Name: 3-[(1R)-1-[(4R)-2-amino-4-(cyclopropylmethyl)-6-oxo-4-phenyl-5H-pyrimidin-1-yl]butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: CCC[C@H](c1cccc(C(=O)N[C@H]2CCc3ccccc32)c1)N1C(=O)C[C@](CC2CC2)(c2ccccc2)N=C1N
• InChI: InChI=1S/C34H38N4O2/c1-2-9-30(25-11-8-12-26(20-25)32(40)36-29-19-18-24-10-6-7-15-28(24)29)38-31(39)22-34(37-33(38)35,21-23-16-17-23)27-13-4-3-5-14-27/h3-8,10-15,20,23,29-30H,2,9,16-19,21-22H2,1H3,(H2,35,37)(H,36,40)/t29-,30+,34+/m0/s1
• InChIKey: CMLIAMDMGGUMSF-YIQDYSAESA-N
• XLogP: 6.19
• TPSA: 87.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.70
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[(1R)-1-[(4R)-2-amino-4-(cyclopropylmethyl)-6-oxo-4-phenyl-5H-pyrimidin-1-yl]butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 166707570) is 3-[(1R)-1-[(4R)-2-amino-4-(cyclopropylmethyl)-6-oxo-4-phenyl-5H-pyrimidin-1-yl]butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.

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

The canonical SMILES for 3-[(1R)-1-[(4R)-2-amino-4-(cyclopropylmethyl)-6-oxo-4-phenyl-5H-pyrimidin-1-yl]butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is CCC[C@H](c1cccc(C(=O)N[C@H]2CCc3ccccc32)c1)N1C(=O)C[C@](CC2CC2)(c2ccccc2)N=C1N.

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

The InChIKey is CMLIAMDMGGUMSF-YIQDYSAESA-N. The full InChI is InChI=1S/C34H38N4O2/c1-2-9-30(25-11-8-12-26(20-25)32(40)36-29-19-18-24-10-6-7-15-28(24)29)38-31(39)22-34(37-33(38)35,21-23-16-17-23)27-13-4-3-5-14-27/h3-8,10-15,20,23,29-30H,2,9,16-19,21-22H2,1H3,(H2,35,37)(H,36,40)/t29-,30+,34+/m0/s1.

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

3-[(1R)-1-[(4R)-2-amino-4-(cyclopropylmethyl)-6-oxo-4-phenyl-5H-pyrimidin-1-yl]butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 534.70 g/mol, XLogP of 6.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-[(4R)-2-amino-4-(cyclopropylmethyl)-6-oxo-4-phenyl-5H-pyrimidin-1-yl]butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 166707570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).