3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol

C10H14N4O — CID 63205559

IUPAC3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol
SMILESCC(O)C(C)c1ncnc2c1cnn2C
InChIInChI=1S/C10H14N4O/c1-6(7(2)15)9-8-4-13-14(3)10(8)12-5-11-9/h4-7,15H,1-3H3
InChIKeyFBJZGYDJRMYHGD-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.85
Rot. Bonds2

About 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol

3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol (PubChem CID 63205559) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol
PubChem CID63205559
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol
SMILESCC(O)C(C)c1ncnc2c1cnn2C
InChIInChI=1S/C10H14N4O/c1-6(7(2)15)9-8-4-13-14(3)10(8)12-5-11-9/h4-7,15H,1-3H3
InChIKeyFBJZGYDJRMYHGD-UHFFFAOYSA-N
XLogP0.85
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 163990677
4-(3-chlorobutan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidine
CID 63203147
3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one
CID 63196667
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
2-N-methyl-2-N-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83837840
3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
CID 63197046
ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol
CID 178106286
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol?
The IUPAC name of 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol (CID 63205559) is 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol.
What is the SMILES notation for 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol?
The canonical SMILES for 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol is CC(O)C(C)c1ncnc2c1cnn2C.
What is the InChIKey of 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol?
The InChIKey is FBJZGYDJRMYHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(7(2)15)9-8-4-13-14(3)10(8)12-5-11-9/h4-7,15H,1-3H3.
What are the key properties of 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol?
3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol has a molecular weight of 206.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol is sourced from PubChem (CID 63205559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).