1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione

C21H22N2O7 — CID 142312462

About 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione

1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 142312462) has the molecular formula C21H22N2O7 and a molecular weight of 414.41 g/mol. Its IUPAC name is 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione
• PubChem CID: 142312462
• Molecular Formula: C21H22N2O7
• Molecular Weight: 414.41 g/mol
• Exact Mass: 414.14
• IUPAC Name: 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione
• SMILES: O=c1ccn(C2OC(CCO)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)o1
• InChI: InChI=1S/C21H22N2O7/c24-11-9-16-18(26)19(27)20(30-16)22-10-8-17(25)23(21(22)28)12-14-6-7-15(29-14)13-4-2-1-3-5-13/h1-8,10,16,18-20,24,26-27H,9,11-12H2
• InChIKey: RBYRHCCXOMQQBK-UHFFFAOYSA-N
• XLogP: 0.32
• TPSA: 127.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.41
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione (CID 142312462) is 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione is O=c1ccn(C2OC(CCO)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)o1.

What is the InChIKey of 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione?

The InChIKey is RBYRHCCXOMQQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O7/c24-11-9-16-18(26)19(27)20(30-16)22-10-8-17(25)23(21(22)28)12-14-6-7-15(29-14)13-4-2-1-3-5-13/h1-8,10,16,18-20,24,26-27H,9,11-12H2.

What are the key properties of 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione?

1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 414.41 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 142312462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).