5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine

C26H25F2N5O5 — CID 90166131

IUPAC5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1cc(OC)c(F)c(COc2cnc(Nc3cnn(C4COC(c5ccccc5)OC4)c3)nc2)c1F
InChIInChI=1S/C26H25F2N5O5/c1-34-21-8-22(35-2)24(28)20(23(21)27)15-36-19-10-29-26(30-11-19)32-17-9-31-33(12-17)18-13-37-25(38-14-18)16-6-4-3-5-7-16/h3-12,18,25H,13-15H2,1-2H3,(H,29,30,32)
InChIKeyNLQDZNPFRGEFGJ-UHFFFAOYSA-N
MW525.51 g/mol
LogP4.58
Rot. Bonds9

About 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 90166131) has the molecular formula C26H25F2N5O5 and a molecular weight of 525.51 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID90166131
Molecular FormulaC26H25F2N5O5
Molecular Weight525.51 g/mol
Exact Mass525.18
IUPAC Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1cc(OC)c(F)c(COc2cnc(Nc3cnn(C4COC(c5ccccc5)OC4)c3)nc2)c1F
InChIInChI=1S/C26H25F2N5O5/c1-34-21-8-22(35-2)24(28)20(23(21)27)15-36-19-10-29-26(30-11-19)32-17-9-31-33(12-17)18-13-37-25(38-14-18)16-6-4-3-5-7-16/h3-12,18,25H,13-15H2,1-2H3,(H,29,30,32)
InChIKeyNLQDZNPFRGEFGJ-UHFFFAOYSA-N
XLogP4.58
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 90166131) is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine is COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(C4COC(c5ccccc5)OC4)c3)nc2)c1F.
What is the InChIKey of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is NLQDZNPFRGEFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O5/c1-34-21-8-22(35-2)24(28)20(23(21)27)15-36-19-10-29-26(30-11-19)32-17-9-31-33(12-17)18-13-37-25(38-14-18)16-6-4-3-5-7-16/h3-12,18,25H,13-15H2,1-2H3,(H,29,30,32).
What are the key properties of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine?
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 525.51 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-phenyl-1,3-dioxan-5-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 90166131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).