6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C15H18Cl2FN5O — CID 175574693

About 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 175574693) has the molecular formula C15H18Cl2FN5O and a molecular weight of 374.25 g/mol. Its IUPAC name is 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
• PubChem CID: 175574693
• Molecular Formula: C15H18Cl2FN5O
• Molecular Weight: 374.25 g/mol
• Exact Mass: 373.09
• IUPAC Name: 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
• SMILES: CCC(N)Cc1[nH]c2nc(Cl)nc(NCc3ccco3)c2c1F.Cl
• InChI: InChI=1S/C15H17ClFN5O.ClH/c1-2-8(18)6-10-12(17)11-13(19-7-9-4-3-5-23-9)21-15(16)22-14(11)20-10;/h3-5,8H,2,6-7,18H2,1H3,(H2,19,20,21,22);1H
• InChIKey: QCNUTNYMXGJVSP-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 92.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.25
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

The IUPAC name of 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 175574693) is 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

What is the SMILES notation for 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

The canonical SMILES for 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is CCC(N)Cc1[nH]c2nc(Cl)nc(NCc3ccco3)c2c1F.Cl.

What is the InChIKey of 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

The InChIKey is QCNUTNYMXGJVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN5O.ClH/c1-2-8(18)6-10-12(17)11-13(19-7-9-4-3-5-23-9)21-15(16)22-14(11)20-10;/h3-5,8H,2,6-7,18H2,1H3,(H2,19,20,21,22);1H.

What are the key properties of 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 374.25 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 175574693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).