5-chloro-2-[(1R)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C14H13ClFN7O — CID 25169403

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

5-chloro-2-[(1R)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 25169403) has the molecular formula C14H13ClFN7O and a molecular weight of 349.76 g/mol. Its IUPAC name is 5-chloro-2-[(1R)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-chloro-2-[(1R)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 25169403
• Molecular Formula: C14H13ClFN7O
• Molecular Weight: 349.76 g/mol
• Exact Mass: 349.09
• IUPAC Name: 5-chloro-2-[(1R)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: Cc1cc(Nc2nc(O[C@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1
• InChI: InChI=1S/C14H13ClFN7O/c1-7-3-11(23-22-7)20-13-10(15)6-19-14(21-13)24-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H2,19,20,21,22,23)/t8-/m1/s1
• InChIKey: WZPILCWIFRRMQR-MRVPVSSYSA-N
• XLogP: 2.97
• TPSA: 101.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.76
LogP ≤ 5	2.97
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-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The IUPAC name of 5-chloro-2-[(1R)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 25169403) is 5-chloro-2-[(1R)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

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

The canonical SMILES for 5-chloro-2-[(1R)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2nc(O[C@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1.

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

The InChIKey is WZPILCWIFRRMQR-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13ClFN7O/c1-7-3-11(23-22-7)20-13-10(15)6-19-14(21-13)24-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H2,19,20,21,22,23)/t8-/m1/s1.

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

5-chloro-2-[(1R)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 349.76 g/mol, XLogP of 2.97, 5 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-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 25169403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).