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

C15H21ClN8O — CID 153410114

IUPACbis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride
SMILESCl.NC1CN(c2ncc(C(O)c3cnc(N4CC(N)C4)nc3)cn2)C1
InChIInChI=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
InChIKeyQZGRTDZQRCDHRS-UHFFFAOYSA-N
MW364.84 g/mol
LogP-0.94
Rot. Bonds4

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 Namebis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride
PubChem CID153410114
Molecular FormulaC15H21ClN8O
Molecular Weight364.84 g/mol
Exact Mass364.15
IUPAC Namebis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride
SMILESCl.NC1CN(c2ncc(C(O)c3cnc(N4CC(N)C4)nc3)cn2)C1
InChIInChI=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
InChIKeyQZGRTDZQRCDHRS-UHFFFAOYSA-N
XLogP-0.94
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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).