3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C11H15N5O — CID 57355918

IUPAC3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C2CCCCO2)c2ncnc(N)c12
InChIInChI=1S/C11H15N5O/c1-7-9-10(12)13-6-14-11(9)16(15-7)8-4-2-3-5-17-8/h6,8H,2-5H2,1H3,(H2,12,13,14)
InChIKeyFFUACAPEBSIBNP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.42
Rot. Bonds1

About 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 57355918) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID57355918
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C2CCCCO2)c2ncnc(N)c12
InChIInChI=1S/C11H15N5O/c1-7-9-10(12)13-6-14-11(9)16(15-7)8-4-2-3-5-17-8/h6,8H,2-5H2,1H3,(H2,12,13,14)
InChIKeyFFUACAPEBSIBNP-UHFFFAOYSA-N
XLogP1.42
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 57355918) is 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C2CCCCO2)c2ncnc(N)c12.
What is the InChIKey of 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FFUACAPEBSIBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-9-10(12)13-6-14-11(9)16(15-7)8-4-2-3-5-17-8/h6,8H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57355918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).