N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane

C26H30F3N5O4 — CID 153393301

About N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane

N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane (PubChem CID 153393301) has the molecular formula C26H30F3N5O4 and a molecular weight of 533.55 g/mol. Its IUPAC name is N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane.

Molecular Properties

• Compound Name: N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane
• PubChem CID: 153393301
• Molecular Formula: C26H30F3N5O4
• Molecular Weight: 533.55 g/mol
• Exact Mass: 533.22
• IUPAC Name: N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane
• SMILES: COC.Cc1cc(-c2c(OCC3(NC=O)CCOCC3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
• InChI: InChI=1S/C24H24F3N5O3.C2H6O/c1-14-10-16(11-18(30-14)21(26)27)19-20(15-2-4-17(25)5-3-15)31-23(28)32-22(19)35-12-24(29-13-33)6-8-34-9-7-24;1-3-2/h2-5,10-11,13,21H,6-9,12H2,1H3,(H,29,33)(H2,28,31,32);1-2H3
• InChIKey: VJNGNXLCDABXET-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 121.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.55
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane?

The IUPAC name of N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane (CID 153393301) is N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane.

What is the SMILES notation for N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane?

The canonical SMILES for N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane is COC.Cc1cc(-c2c(OCC3(NC=O)CCOCC3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1.

What is the InChIKey of N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane?

The InChIKey is VJNGNXLCDABXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3.C2H6O/c1-14-10-16(11-18(30-14)21(26)27)19-20(15-2-4-17(25)5-3-15)31-23(28)32-22(19)35-12-24(29-13-33)6-8-34-9-7-24;1-3-2/h2-5,10-11,13,21H,6-9,12H2,1H3,(H,29,33)(H2,28,31,32);1-2H3.

What are the key properties of N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane?

N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane has a molecular weight of 533.55 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]oxan-4-yl]formamide;methoxymethane is sourced from PubChem (CID 153393301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).