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

C17H19F2N3O4 — CID 145168801

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

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 145168801) has the molecular formula C17H19F2N3O4 and a molecular weight of 367.35 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine
• PubChem CID: 145168801
• Molecular Formula: C17H19F2N3O4
• Molecular Weight: 367.35 g/mol
• Exact Mass: 367.13
• IUPAC Name: 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine
• SMILES: COc1cc(OC)c(F)c(COc2cnc(NC3CCOC3)nc2)c1F
• InChI: InChI=1S/C17H19F2N3O4/c1-23-13-5-14(24-2)16(19)12(15(13)18)9-26-11-6-20-17(21-7-11)22-10-3-4-25-8-10/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,21,22)
• InChIKey: XDHPDTHWMQVWSO-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 74.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.35
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine (CID 145168801) is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine.

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

The canonical SMILES for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine is COc1cc(OC)c(F)c(COc2cnc(NC3CCOC3)nc2)c1F.

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

The InChIKey is XDHPDTHWMQVWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4/c1-23-13-5-14(24-2)16(19)12(15(13)18)9-26-11-6-20-17(21-7-11)22-10-3-4-25-8-10/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,21,22).

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

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine has a molecular weight of 367.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 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-(oxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 145168801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).