2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C₁₃H₁₂ClFN₄ — CID 175868327

About 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 175868327) has the molecular formula C₁₃H₁₂ClFN₄ and a molecular weight of 278.72 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
• PubChem CID: 175868327
• Molecular Formula: C₁₃H₁₂ClFN₄
• Molecular Weight: 278.72 g/mol
• Exact Mass: 278.07
• IUPAC Name: 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
• SMILES: Cl.Nc1nc(Cc2ccccc2F)nc2[nH]ccc12
• InChI: InChI=1S/C13H11FN4.ClH/c14-10-4-2-1-3-8(10)7-11-17-12(15)9-5-6-16-13(9)18-11;/h1-6H,7H2,(H3,15,16,17,18);1H
• InChIKey: IWHOTENBEGHJAG-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 67.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.72
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

The IUPAC name of 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 175868327) is 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

The canonical SMILES for 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1nc(Cc2ccccc2F)nc2[nH]ccc12.

What is the InChIKey of 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

The InChIKey is IWHOTENBEGHJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4.ClH/c14-10-4-2-1-3-8(10)7-11-17-12(15)9-5-6-16-13(9)18-11;/h1-6H,7H2,(H3,15,16,17,18);1H.

What are the key properties of 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 278.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 175868327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175868327 — identifiers, structure, computed properties (public domain)

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