6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one

C19H23N3O5 — CID 152778405

About 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one

6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one (PubChem CID 152778405) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one
• PubChem CID: 152778405
• Molecular Formula: C19H23N3O5
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.16
• IUPAC Name: 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one
• SMILES: CC=CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1(N)C(=O)c1ccccc1
• InChI: InChI=1S/C19H23N3O5/c1-2-6-13-10-22(16-9-14(24)15(11-23)27-16)18(26)21-19(13,20)17(25)12-7-4-3-5-8-12/h2-8,10,14-16,23-24H,9,11,20H2,1H3,(H,21,26)/t14-,15+,16+,19?/m0/s1
• InChIKey: UQNNYCYENYEYAL-FFQLRCDISA-N
• XLogP: 0.48
• TPSA: 125.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one?

The IUPAC name of 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one (CID 152778405) is 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one.

What is the SMILES notation for 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one?

The canonical SMILES for 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one is CC=CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1(N)C(=O)c1ccccc1.

What is the InChIKey of 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one?

The InChIKey is UQNNYCYENYEYAL-FFQLRCDISA-N. The full InChI is InChI=1S/C19H23N3O5/c1-2-6-13-10-22(16-9-14(24)15(11-23)27-16)18(26)21-19(13,20)17(25)12-7-4-3-5-8-12/h2-8,10,14-16,23-24H,9,11,20H2,1H3,(H,21,26)/t14-,15+,16+,19?/m0/s1.

What are the key properties of 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one?

6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one has a molecular weight of 373.41 g/mol, XLogP of 0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-6-benzoyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-enyl-1H-pyrimidin-2-one is sourced from PubChem (CID 152778405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).