3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H21N5O — CID 139502556

IUPAC3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCC(C)(CC)n1nc(OC)c2c(N)ncnc21
InChIInChI=1S/C13H21N5O/c1-5-7-13(3,6-2)18-11-9(12(17-18)19-4)10(14)15-8-16-11/h8H,5-7H2,1-4H3,(H2,14,15,16)
InChIKeyWQHKORVVHUCEMJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds5

About 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139502556) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID139502556
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCC(C)(CC)n1nc(OC)c2c(N)ncnc21
InChIInChI=1S/C13H21N5O/c1-5-7-13(3,6-2)18-11-9(12(17-18)19-4)10(14)15-8-16-11/h8H,5-7H2,1-4H3,(H2,14,15,16)
InChIKeyWQHKORVVHUCEMJ-UHFFFAOYSA-N
XLogP2.34
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 139502556) is 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CCCC(C)(CC)n1nc(OC)c2c(N)ncnc21.
What is the InChIKey of 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WQHKORVVHUCEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-7-13(3,6-2)18-11-9(12(17-18)19-4)10(14)15-8-16-11/h8H,5-7H2,1-4H3,(H2,14,15,16).
What are the key properties of 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methylhexan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139502556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).