N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C20H26N4O5 — CID 91950270

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91950270) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 91950270
• Molecular Formula: C20H26N4O5
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.19
• IUPAC Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
• SMILES: COCCCn1cnc2oc(C)c(C(=O)NCC(c3ccco3)N(C)C)c2c1=O
• InChI: InChI=1S/C20H26N4O5/c1-13-16(18(25)21-11-14(23(2)3)15-7-5-10-28-15)17-19(29-13)22-12-24(20(17)26)8-6-9-27-4/h5,7,10,12,14H,6,8-9,11H2,1-4H3,(H,21,25)
• InChIKey: HMJHVCQLJPDWFA-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 102.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91950270) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COCCCn1cnc2oc(C)c(C(=O)NCC(c3ccco3)N(C)C)c2c1=O.

What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is HMJHVCQLJPDWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-13-16(18(25)21-11-14(23(2)3)15-7-5-10-28-15)17-19(29-13)22-12-24(20(17)26)8-6-9-27-4/h5,7,10,12,14H,6,8-9,11H2,1-4H3,(H,21,25).

What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91950270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).