5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine

C26H28N4O3 — CID 58603257

About 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine

5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 58603257) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
• PubChem CID: 58603257
• Molecular Formula: C26H28N4O3
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.22
• IUPAC Name: 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
• SMILES: COc1ccc(-c2c(-c3ccc(C)cc3)oc3ncnc(NCCN4CCOCC4)c23)cc1
• InChI: InChI=1S/C26H28N4O3/c1-18-3-5-20(6-4-18)24-22(19-7-9-21(31-2)10-8-19)23-25(28-17-29-26(23)33-24)27-11-12-30-13-15-32-16-14-30/h3-10,17H,11-16H2,1-2H3,(H,27,28,29)
• InChIKey: RILZEDXLZGBPKD-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 72.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine (CID 58603257) is 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2c(-c3ccc(C)cc3)oc3ncnc(NCCN4CCOCC4)c23)cc1.

What is the InChIKey of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine?

The InChIKey is RILZEDXLZGBPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18-3-5-20(6-4-18)24-22(19-7-9-21(31-2)10-8-19)23-25(28-17-29-26(23)33-24)27-11-12-30-13-15-32-16-14-30/h3-10,17H,11-16H2,1-2H3,(H,27,28,29).

What are the key properties of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine?

5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 444.54 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58603257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).