Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride

C₁₅H₂₁ClN₈O — CID 153410114

About Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride

Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride (PubChem CID 153410114) has the molecular formula C₁₅H₂₁ClN₈O and a molecular weight of 364.84 g/mol. Its IUPAC name is bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride.

Molecular Properties

• Compound Name: Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride
• PubChem CID: 153410114
• Molecular Formula: C₁₅H₂₁ClN₈O
• Molecular Weight: 364.84 g/mol
• Exact Mass: 364.15
• IUPAC Name: bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride
• SMILES: Cl.NC1CN(c2ncc(C(O)c3cnc(N4CC(N)C4)nc3)cn2)C1
• InChI: InChI=1S/C15H20N8O.ClH/c16-11-5-22(6-11)14-18-1-9(2-19-14)13(24)10-3-20-15(21-4-10)23-7-12(17)8-23;/h1-4,11-13,24H,5-8,16-17H2;1H
• InChIKey: QZGRTDZQRCDHRS-UHFFFAOYSA-N
• XLogP: -0.94
• TPSA: 130.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.84
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride?

The IUPAC name of Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride (CID 153410114) is bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride.

What is the SMILES notation for Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride?

The canonical SMILES for Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride is Cl.NC1CN(c2ncc(C(O)c3cnc(N4CC(N)C4)nc3)cn2)C1.

What is the InChIKey of Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride?

The InChIKey is QZGRTDZQRCDHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O.ClH/c16-11-5-22(6-11)14-18-1-9(2-19-14)13(24)10-3-20-15(21-4-10)23-7-12(17)8-23;/h1-4,11-13,24H,5-8,16-17H2;1H.

What are the key properties of Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride?

Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride is sourced from PubChem (CID 153410114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153410114 — identifiers, structure, computed properties (public domain)

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