2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane

C22H32F3N4O6P — CID 144900390

About 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane

2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane (PubChem CID 144900390) has the molecular formula C22H32F3N4O6P and a molecular weight of 536.49 g/mol. Its IUPAC name is 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane.

Molecular Properties

• Compound Name: 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
• PubChem CID: 144900390
• Molecular Formula: C22H32F3N4O6P
• Molecular Weight: 536.49 g/mol
• Exact Mass: 536.20
• IUPAC Name: 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
• SMILES: COC(C)C.FCF.Nc1ccn(C2OC(COP(NCC=O)Oc3ccccc3)CC2F)c(=O)n1
• InChI: InChI=1S/C17H20FN4O5P.C4H10O.CH2F2/c18-14-10-13(26-16(14)22-8-6-15(19)21-17(22)24)11-25-28(20-7-9-23)27-12-4-2-1-3-5-12;1-4(2)5-3;2-1-3/h1-6,8-9,13-14,16,20H,7,10-11H2,(H2,19,21,24);4H,1-3H3;1H2
• InChIKey: LMFZGHVKGKKXPN-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 126.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.49
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?

The IUPAC name of 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane (CID 144900390) is 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane.

What is the SMILES notation for 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?

The canonical SMILES for 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane is COC(C)C.FCF.Nc1ccn(C2OC(COP(NCC=O)Oc3ccccc3)CC2F)c(=O)n1.

What is the InChIKey of 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?

The InChIKey is LMFZGHVKGKKXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN4O5P.C4H10O.CH2F2/c18-14-10-13(26-16(14)22-8-6-15(19)21-17(22)24)11-25-28(20-7-9-23)27-12-4-2-1-3-5-12;1-4(2)5-3;2-1-3/h1-6,8-9,13-14,16,20H,7,10-11H2,(H2,19,21,24);4H,1-3H3;1H2.

What are the key properties of 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?

2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane has a molecular weight of 536.49 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane is sourced from PubChem (CID 144900390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).