N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide

C21H26N6O2S — CID 11956649

About N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide (PubChem CID 11956649) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide
• PubChem CID: 11956649
• Molecular Formula: C21H26N6O2S
• Molecular Weight: 426.55 g/mol
• Exact Mass: 426.18
• IUPAC Name: N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide
• SMILES: Cc1ccc(-c2nc(NC(=O)CN3CCC(NC(C)C)C3)cc(-c3nccs3)n2)o1
• InChI: InChI=1S/C21H26N6O2S/c1-13(2)23-15-6-8-27(11-15)12-19(28)25-18-10-16(21-22-7-9-30-21)24-20(26-18)17-5-4-14(3)29-17/h4-5,7,9-10,13,15,23H,6,8,11-12H2,1-3H3,(H,24,25,26,28)
• InChIKey: CINRVFUVTHNVLH-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 96.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.55
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide?

The IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide (CID 11956649) is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide?

The canonical SMILES for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide is Cc1ccc(-c2nc(NC(=O)CN3CCC(NC(C)C)C3)cc(-c3nccs3)n2)o1.

What is the InChIKey of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide?

The InChIKey is CINRVFUVTHNVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-13(2)23-15-6-8-27(11-15)12-19(28)25-18-10-16(21-22-7-9-30-21)24-20(26-18)17-5-4-14(3)29-17/h4-5,7,9-10,13,15,23H,6,8,11-12H2,1-3H3,(H,24,25,26,28).

What are the key properties of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide?

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 426.55 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 11956649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).