[1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

C13H19N5O — CID 70738666

IUPAC[1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1nn(C)c2ncnc(NCC3(CO)CCC3)c12
InChIInChI=1S/C13H19N5O/c1-9-10-11(14-6-13(7-19)4-3-5-13)15-8-16-12(10)18(2)17-9/h8,19H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyMWJLRMKCRLMMMZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.25
Rot. Bonds4

About [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

[1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 70738666) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
PubChem CID70738666
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name[1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1nn(C)c2ncnc(NCC3(CO)CCC3)c12
InChIInChI=1S/C13H19N5O/c1-9-10-11(14-6-13(7-19)4-3-5-13)15-8-16-12(10)18(2)17-9/h8,19H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyMWJLRMKCRLMMMZ-UHFFFAOYSA-N
XLogP1.25
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (CID 70738666) is [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is Cc1nn(C)c2ncnc(NCC3(CO)CCC3)c12.
What is the InChIKey of [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is MWJLRMKCRLMMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-10-11(14-6-13(7-19)4-3-5-13)15-8-16-12(10)18(2)17-9/h8,19H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
[1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 261.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 70738666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).