7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione

C18H12ClFN2O4 — CID 146364779

About 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione

7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 146364779) has the molecular formula C18H12ClFN2O4 and a molecular weight of 374.76 g/mol. Its IUPAC name is 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

• Compound Name: 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
• PubChem CID: 146364779
• Molecular Formula: C18H12ClFN2O4
• Molecular Weight: 374.76 g/mol
• Exact Mass: 374.05
• IUPAC Name: 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
• SMILES: Cc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2cc(Cl)ccc2F)o1
• InChI: InChI=1S/C18H12ClFN2O4/c1-8-2-5-12(25-8)15-14-16(22-18(24)21-15)13(26-17(14)23)7-9-6-10(19)3-4-11(9)20/h2-6,13H,7H2,1H3,(H,21,22,24)
• InChIKey: HATWTGICJRXVIA-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 85.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.76
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?

The IUPAC name of 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (CID 146364779) is 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.

What is the SMILES notation for 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?

The canonical SMILES for 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is Cc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2cc(Cl)ccc2F)o1.

What is the InChIKey of 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?

The InChIKey is HATWTGICJRXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O4/c1-8-2-5-12(25-8)15-14-16(22-18(24)21-15)13(26-17(14)23)7-9-6-10(19)3-4-11(9)20/h2-6,13H,7H2,1H3,(H,21,22,24).

What are the key properties of 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?

7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 374.76 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 146364779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).