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

C16H15F2N5O3 — CID 142722133

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

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine (PubChem CID 142722133) has the molecular formula C16H15F2N5O3 and a molecular weight of 363.32 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine
• PubChem CID: 142722133
• Molecular Formula: C16H15F2N5O3
• Molecular Weight: 363.32 g/mol
• Exact Mass: 363.11
• IUPAC Name: 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine
• SMILES: COc1cc(OC)c(F)c(COc2cnc(Nc3ccn[nH]3)nc2)c1F
• InChI: InChI=1S/C16H15F2N5O3/c1-24-11-5-12(25-2)15(18)10(14(11)17)8-26-9-6-19-16(20-7-9)22-13-3-4-21-23-13/h3-7H,8H2,1-2H3,(H2,19,20,21,22,23)
• InChIKey: ZHPGLVKHLFKHSC-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 94.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.32
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine?

The IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine (CID 142722133) is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine.

What is the SMILES notation for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine?

The canonical SMILES for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine is COc1cc(OC)c(F)c(COc2cnc(Nc3ccn[nH]3)nc2)c1F.

What is the InChIKey of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine?

The InChIKey is ZHPGLVKHLFKHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3/c1-24-11-5-12(25-2)15(18)10(14(11)17)8-26-9-6-19-16(20-7-9)22-13-3-4-21-23-13/h3-7H,8H2,1-2H3,(H2,19,20,21,22,23).

What are the key properties of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine?

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine has a molecular weight of 363.32 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 142722133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).