5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine

C24H26F2N4O4 — CID 90166148

IUPAC5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC)c(F)c(COc2cnc(Nc3cccc(OC4CCNCC4)c3)nc2)c1F
InChIInChI=1S/C24H26F2N4O4/c1-31-20-11-21(32-2)23(26)19(22(20)25)14-33-18-12-28-24(29-13-18)30-15-4-3-5-17(10-15)34-16-6-8-27-9-7-16/h3-5,10-13,16,27H,6-9,14H2,1-2H3,(H,28,29,30)
InChIKeyADKAHEXYCUQNIU-UHFFFAOYSA-N
MW472.49 g/mol
LogP4.23
Rot. Bonds9

About 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine (PubChem CID 90166148) has the molecular formula C24H26F2N4O4 and a molecular weight of 472.49 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine
PubChem CID90166148
Molecular FormulaC24H26F2N4O4
Molecular Weight472.49 g/mol
Exact Mass472.19
IUPAC Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC)c(F)c(COc2cnc(Nc3cccc(OC4CCNCC4)c3)nc2)c1F
InChIInChI=1S/C24H26F2N4O4/c1-31-20-11-21(32-2)23(26)19(22(20)25)14-33-18-12-28-24(29-13-18)30-15-4-3-5-17(10-15)34-16-6-8-27-9-7-16/h3-5,10-13,16,27H,6-9,14H2,1-2H3,(H,28,29,30)
InChIKeyADKAHEXYCUQNIU-UHFFFAOYSA-N
XLogP4.23
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine (CID 90166148) is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine is COc1cc(OC)c(F)c(COc2cnc(Nc3cccc(OC4CCNCC4)c3)nc2)c1F.
What is the InChIKey of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is ADKAHEXYCUQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O4/c1-31-20-11-21(32-2)23(26)19(22(20)25)14-33-18-12-28-24(29-13-18)30-15-4-3-5-17(10-15)34-16-6-8-27-9-7-16/h3-5,10-13,16,27H,6-9,14H2,1-2H3,(H,28,29,30).
What are the key properties of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine?
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 472.49 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 90166148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).