2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol

C13H18ClN5O — CID 102861442

IUPAC2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol
SMILESCn1ncc2c(Cl)nc(CN(CCO)C3CCC3)nc21
InChIInChI=1S/C13H18ClN5O/c1-18-13-10(7-15-18)12(14)16-11(17-13)8-19(5-6-20)9-3-2-4-9/h7,9,20H,2-6,8H2,1H3
InChIKeyGOTIURAVTITGEQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.36
Rot. Bonds5

About 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol

2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol (PubChem CID 102861442) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol
PubChem CID102861442
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol
SMILESCn1ncc2c(Cl)nc(CN(CCO)C3CCC3)nc21
InChIInChI=1S/C13H18ClN5O/c1-18-13-10(7-15-18)12(14)16-11(17-13)8-19(5-6-20)9-3-2-4-9/h7,9,20H,2-6,8H2,1H3
InChIKeyGOTIURAVTITGEQ-UHFFFAOYSA-N
XLogP1.36
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol (CID 102861442) is 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol is Cn1ncc2c(Cl)nc(CN(CCO)C3CCC3)nc21.
What is the InChIKey of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol?
The InChIKey is GOTIURAVTITGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-18-13-10(7-15-18)12(14)16-11(17-13)8-19(5-6-20)9-3-2-4-9/h7,9,20H,2-6,8H2,1H3.
What are the key properties of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol?
2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol has a molecular weight of 295.77 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102861442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).