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

C18H20N4O5 — CID 26195847

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide (PubChem CID 26195847) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
• PubChem CID: 26195847
• Molecular Formula: C18H20N4O5
• Molecular Weight: 372.38 g/mol
• Exact Mass: 372.14
• IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
• SMILES: CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccco2)c(=O)[nH]c1=O
• InChI: InChI=1S/C18H20N4O5/c1-2-3-8-21-15(19)14(16(23)20-18(21)25)22(11-12-6-4-9-26-12)17(24)13-7-5-10-27-13/h4-7,9-10H,2-3,8,11,19H2,1H3,(H,20,23,25)
• InChIKey: CHHOJCBFILLYLL-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 127.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.38
LogP ≤ 5	1.95
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)-N-(furan-2-ylmethyl)furan-2-carboxamide?

The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide (CID 26195847) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide.

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

The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide is CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccco2)c(=O)[nH]c1=O.

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

The InChIKey is CHHOJCBFILLYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-2-3-8-21-15(19)14(16(23)20-18(21)25)22(11-12-6-4-9-26-12)17(24)13-7-5-10-27-13/h4-7,9-10H,2-3,8,11,19H2,1H3,(H,20,23,25).

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 1.95, 7 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)-N-(furan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 26195847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).