2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate

C27H32N6O5 — CID 24738031

About 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate

2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate (PubChem CID 24738031) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate.

Molecular Properties

• Compound Name: 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
• PubChem CID: 24738031
• Molecular Formula: C27H32N6O5
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.24
• IUPAC Name: 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
• SMILES: COc1cccc(CN(C)C)c1OCCOC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccc(C)o2)n1
• InChI: InChI=1S/C27H32N6O5/c1-17-14-18(2)33(31-17)24-15-23(28-26(30-24)22-11-10-19(3)38-22)29-27(34)37-13-12-36-25-20(16-32(4)5)8-7-9-21(25)35-6/h7-11,14-15H,12-13,16H2,1-6H3,(H,28,29,30,34)
• InChIKey: AVOURIYXLRZCEA-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 116.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate?

The IUPAC name of 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate (CID 24738031) is 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate.

What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate?

The canonical SMILES for 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate is COc1cccc(CN(C)C)c1OCCOC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccc(C)o2)n1.

What is the InChIKey of 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate?

The InChIKey is AVOURIYXLRZCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O5/c1-17-14-18(2)33(31-17)24-15-23(28-26(30-24)22-11-10-19(3)38-22)29-27(34)37-13-12-36-25-20(16-32(4)5)8-7-9-21(25)35-6/h7-11,14-15H,12-13,16H2,1-6H3,(H,28,29,30,34).

What are the key properties of 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate?

2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate has a molecular weight of 520.59 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 24738031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).