N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide

C21H22F2N4O5 — CID 26195713

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide (PubChem CID 26195713) has the molecular formula C21H22F2N4O5 and a molecular weight of 448.43 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 26195713
• Molecular Formula: C21H22F2N4O5
• Molecular Weight: 448.43 g/mol
• Exact Mass: 448.16
• IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide
• SMILES: CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccccc2OC(F)F)c(=O)[nH]c1=O
• InChI: InChI=1S/C21H22F2N4O5/c1-2-3-10-26-17(24)16(18(28)25-21(26)30)27(12-13-7-6-11-31-13)19(29)14-8-4-5-9-15(14)32-20(22)23/h4-9,11,20H,2-3,10,12,24H2,1H3,(H,25,28,30)
• InChIKey: HSKWRMOSIHBCDM-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 123.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.43
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide (CID 26195713) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide is CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccccc2OC(F)F)c(=O)[nH]c1=O.

What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide?

The InChIKey is HSKWRMOSIHBCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O5/c1-2-3-10-26-17(24)16(18(28)25-21(26)30)27(12-13-7-6-11-31-13)19(29)14-8-4-5-9-15(14)32-20(22)23/h4-9,11,20H,2-3,10,12,24H2,1H3,(H,25,28,30).

What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide?

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 448.43 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 26195713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).