N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide

C23H30FN5O3 — CID 92621066

About N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide

N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide (PubChem CID 92621066) has the molecular formula C23H30FN5O3 and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide
• PubChem CID: 92621066
• Molecular Formula: C23H30FN5O3
• Molecular Weight: 443.52 g/mol
• Exact Mass: 443.23
• IUPAC Name: N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide
• SMILES: CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)COc3ccc(F)cc3)n2)CC1=O
• InChI: InChI=1S/C23H30FN5O3/c1-15(2)29-12-16(10-22(29)30)19-11-21(27(3)4)26-20(25-19)13-28(5)23(31)14-32-18-8-6-17(24)7-9-18/h6-9,11,15-16H,10,12-14H2,1-5H3/t16-/m1/s1
• InChIKey: UGVZFIFCAMGLEM-MRXNPFEDSA-N
• XLogP: 2.44
• TPSA: 78.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.52
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide?

The IUPAC name of N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide (CID 92621066) is N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide.

What is the SMILES notation for N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide?

The canonical SMILES for N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide is CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)COc3ccc(F)cc3)n2)CC1=O.

What is the InChIKey of N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide?

The InChIKey is UGVZFIFCAMGLEM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30FN5O3/c1-15(2)29-12-16(10-22(29)30)19-11-21(27(3)4)26-20(25-19)13-28(5)23(31)14-32-18-8-6-17(24)7-9-18/h6-9,11,15-16H,10,12-14H2,1-5H3/t16-/m1/s1.

What are the key properties of N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide?

N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide has a molecular weight of 443.52 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide is sourced from PubChem (CID 92621066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).