4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

C33H33N3O7 — CID 166679194

About 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 166679194) has the molecular formula C33H33N3O7 and a molecular weight of 583.64 g/mol. Its IUPAC name is 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

• Compound Name: 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
• PubChem CID: 166679194
• Molecular Formula: C33H33N3O7
• Molecular Weight: 583.64 g/mol
• Exact Mass: 583.23
• IUPAC Name: 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
• SMILES: CCn1c2ccccc2c2cc(C(=O)COc3ccc(COc4nc(=O)n([C@H]5C[C@H](O)[C@@H](CO)O5)cc4C)cc3)ccc21
• InChI: InChI=1S/C33H33N3O7/c1-3-35-26-7-5-4-6-24(26)25-14-22(10-13-27(25)35)29(39)19-41-23-11-8-21(9-12-23)18-42-32-20(2)16-36(33(40)34-32)31-15-28(38)30(17-37)43-31/h4-14,16,28,30-31,37-38H,3,15,17-19H2,1-2H3/t28-,30+,31+/m0/s1
• InChIKey: SPSZTXZPROPSKT-FAOMPSFFSA-N
• XLogP: 4.16
• TPSA: 125.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.64
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?

The IUPAC name of 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (CID 166679194) is 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.

What is the SMILES notation for 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?

The canonical SMILES for 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is CCn1c2ccccc2c2cc(C(=O)COc3ccc(COc4nc(=O)n([C@H]5C[C@H](O)[C@@H](CO)O5)cc4C)cc3)ccc21.

What is the InChIKey of 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?

The InChIKey is SPSZTXZPROPSKT-FAOMPSFFSA-N. The full InChI is InChI=1S/C33H33N3O7/c1-3-35-26-7-5-4-6-24(26)25-14-22(10-13-27(25)35)29(39)19-41-23-11-8-21(9-12-23)18-42-32-20(2)16-36(33(40)34-32)31-15-28(38)30(17-37)43-31/h4-14,16,28,30-31,37-38H,3,15,17-19H2,1-2H3/t28-,30+,31+/m0/s1.

What are the key properties of 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?

4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 583.64 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[2-(9-ethylcarbazol-3-yl)-2-oxoethoxy]phenyl]methoxy]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 166679194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).