9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate

C22H21N3O6 — CID 170833857

About 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170833857) has the molecular formula C22H21N3O6 and a molecular weight of 423.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
• PubChem CID: 170833857
• Molecular Formula: C22H21N3O6
• Molecular Weight: 423.43 g/mol
• Exact Mass: 423.14
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
• SMILES: O=C(NCC(O)C(O)c1c[nH]c(=O)[nH]c1=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C22H21N3O6/c26-18(19(27)16-9-23-21(29)25-20(16)28)10-24-22(30)31-11-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-9,17-19,26-27H,10-11H2,(H,24,30)(H2,23,25,28,29)
• InChIKey: CSLKTYUCZRPFOL-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 144.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.43
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate (CID 170833857) is 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1c[nH]c(=O)[nH]c1=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?

The InChIKey is CSLKTYUCZRPFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6/c26-18(19(27)16-9-23-21(29)25-20(16)28)10-24-22(30)31-11-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-9,17-19,26-27H,10-11H2,(H,24,30)(H2,23,25,28,29).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 423.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170833857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).