[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol

C8H11N5O — CID 63221291

IUPAC[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
SMILESCNc1nc(CO)nc2c1cnn2C
InChIInChI=1S/C8H11N5O/c1-9-7-5-3-10-13(2)8(5)12-6(4-14)11-7/h3,14H,4H2,1-2H3,(H,9,11,12)
InChIKeyWWSGKECDRHAORS-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.10
Rot. Bonds2

About [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol

[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol (PubChem CID 63221291) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
PubChem CID63221291
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
SMILESCNc1nc(CO)nc2c1cnn2C
InChIInChI=1S/C8H11N5O/c1-9-7-5-3-10-13(2)8(5)12-6(4-14)11-7/h3,14H,4H2,1-2H3,(H,9,11,12)
InChIKeyWWSGKECDRHAORS-UHFFFAOYSA-N
XLogP-0.10
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methylsulfanyl]propan-1-ol
CID 113373968
N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220908
1-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
CID 63220999
6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221324
N,1-dimethyl-6-[[methyl(pentan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220534
6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006493
ethyl 2-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methylsulfanyl]acetate
CID 63222156
N,1-dimethyl-6-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63222068
N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221980
3-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64830431
N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221485
N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220746

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol?
The IUPAC name of [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol (CID 63221291) is [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol.
What is the SMILES notation for [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol?
The canonical SMILES for [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol is CNc1nc(CO)nc2c1cnn2C.
What is the InChIKey of [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol?
The InChIKey is WWSGKECDRHAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-9-7-5-3-10-13(2)8(5)12-6(4-14)11-7/h3,14H,4H2,1-2H3,(H,9,11,12).
What are the key properties of [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol?
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol has a molecular weight of 193.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 63221291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).