2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol

C12H20N6O — CID 106198492

IUPAC2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol
SMILESCNc1nc(NC(C)(C)C(C)(C)O)c2cn[nH]c2n1
InChIInChI=1S/C12H20N6O/c1-11(2,12(3,4)19)17-8-7-6-14-18-9(7)16-10(13-5)15-8/h6,19H,1-5H3,(H3,13,14,15,16,17,18)
InChIKeyLMWMZDBMZSTRAI-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.36
Rot. Bonds4

About 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol

2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 106198492) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol
PubChem CID106198492
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol
SMILESCNc1nc(NC(C)(C)C(C)(C)O)c2cn[nH]c2n1
InChIInChI=1S/C12H20N6O/c1-11(2,12(3,4)19)17-8-7-6-14-18-9(7)16-10(13-5)15-8/h6,19H,1-5H3,(H3,13,14,15,16,17,18)
InChIKeyLMWMZDBMZSTRAI-UHFFFAOYSA-N
XLogP1.36
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol (CID 106198492) is 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol is CNc1nc(NC(C)(C)C(C)(C)O)c2cn[nH]c2n1.
What is the InChIKey of 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is LMWMZDBMZSTRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-11(2,12(3,4)19)17-8-7-6-14-18-9(7)16-10(13-5)15-8/h6,19H,1-5H3,(H3,13,14,15,16,17,18).
What are the key properties of 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol?
2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 264.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 106198492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).