3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

C11H15N5O — CID 66005488

IUPAC3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCn1ncc2c(NCC3CC(O)C3)ncnc21
InChIInChI=1S/C11H15N5O/c1-16-11-9(5-15-16)10(13-6-14-11)12-4-7-2-8(17)3-7/h5-8,17H,2-4H2,1H3,(H,12,13,14)
InChIKeyOERADPWQJMIGNZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.55
Rot. Bonds3

About 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 66005488) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
PubChem CID66005488
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCn1ncc2c(NCC3CC(O)C3)ncnc21
InChIInChI=1S/C11H15N5O/c1-16-11-9(5-15-16)10(13-6-14-11)12-4-7-2-8(17)3-7/h5-8,17H,2-4H2,1H3,(H,12,13,14)
InChIKeyOERADPWQJMIGNZ-UHFFFAOYSA-N
XLogP0.55
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (CID 66005488) is 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is Cn1ncc2c(NCC3CC(O)C3)ncnc21.
What is the InChIKey of 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is OERADPWQJMIGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-11-9(5-15-16)10(13-6-14-11)12-4-7-2-8(17)3-7/h5-8,17H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 233.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).