5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C16H16ClFN6O2 — CID 25169406

About 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 25169406) has the molecular formula C16H16ClFN6O2 and a molecular weight of 378.80 g/mol. Its IUPAC name is 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 25169406
• Molecular Formula: C16H16ClFN6O2
• Molecular Weight: 378.80 g/mol
• Exact Mass: 378.10
• IUPAC Name: 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: COC[C@H](Oc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ccc(F)cn1
• InChI: InChI=1S/C16H16ClFN6O2/c1-9-5-14(24-23-9)21-15-11(17)7-20-16(22-15)26-13(8-25-2)12-4-3-10(18)6-19-12/h3-7,13H,8H2,1-2H3,(H2,20,21,22,23,24)/t13-/m0/s1
• InChIKey: HRQIBBFQOONHSA-ZDUSSCGKSA-N
• XLogP: 3.21
• TPSA: 97.84 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	378.80
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The IUPAC name of 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 25169406) is 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

What is the SMILES notation for 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The canonical SMILES for 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is COC[C@H](Oc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ccc(F)cn1.

What is the InChIKey of 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The InChIKey is HRQIBBFQOONHSA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16ClFN6O2/c1-9-5-14(24-23-9)21-15-11(17)7-20-16(22-15)26-13(8-25-2)12-4-3-10(18)6-19-12/h3-7,13H,8H2,1-2H3,(H2,20,21,22,23,24)/t13-/m0/s1.

What are the key properties of 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 378.80 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 25169406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).