N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide

C22H24Cl2N4O4 — CID 38908007

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 38908007) has the molecular formula C22H24Cl2N4O4 and a molecular weight of 479.36 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 38908007
• Molecular Formula: C22H24Cl2N4O4
• Molecular Weight: 479.36 g/mol
• Exact Mass: 478.12
• IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide
• SMILES: CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2cccc(Cl)c2Cl)c(=O)[nH]c1=O
• InChI: InChI=1S/C22H24Cl2N4O4/c1-2-3-11-27-20(25)19(21(30)26-22(27)31)28(13-15-7-5-12-32-15)17(29)10-9-14-6-4-8-16(23)18(14)24/h4-8,12H,2-3,9-11,13,25H2,1H3,(H,26,30,31)
• InChIKey: WQFUPNFDUBMPTJ-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 114.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.36
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide (CID 38908007) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide is CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2cccc(Cl)c2Cl)c(=O)[nH]c1=O.

What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide?

The InChIKey is WQFUPNFDUBMPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O4/c1-2-3-11-27-20(25)19(21(30)26-22(27)31)28(13-15-7-5-12-32-15)17(29)10-9-14-6-4-8-16(23)18(14)24/h4-8,12H,2-3,9-11,13,25H2,1H3,(H,26,30,31).

What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide?

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 479.36 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 38908007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).