1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol

C13H19N5O2 — CID 70749775

IUPAC1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol
SMILESCc1nn(C)c2ncnc(N3CCC(O)(CO)CC3)c12
InChIInChI=1S/C13H19N5O2/c1-9-10-11(17(2)16-9)14-8-15-12(10)18-5-3-13(20,7-19)4-6-18/h8,19-20H,3-7H2,1-2H3
InChIKeyTWBLTTIHVKHINN-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.00
Rot. Bonds2

About 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol

1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol (PubChem CID 70749775) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol
PubChem CID70749775
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol
SMILESCc1nn(C)c2ncnc(N3CCC(O)(CO)CC3)c12
InChIInChI=1S/C13H19N5O2/c1-9-10-11(17(2)16-9)14-8-15-12(10)18-5-3-13(20,7-19)4-6-18/h8,19-20H,3-7H2,1-2H3
InChIKeyTWBLTTIHVKHINN-UHFFFAOYSA-N
XLogP-0.00
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol (CID 70749775) is 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol is Cc1nn(C)c2ncnc(N3CCC(O)(CO)CC3)c12.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol?
The InChIKey is TWBLTTIHVKHINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-10-11(17(2)16-9)14-8-15-12(10)18-5-3-13(20,7-19)4-6-18/h8,19-20H,3-7H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol?
1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol has a molecular weight of 277.33 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 70749775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).