4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C11H16N6O — CID 102741163

IUPAC4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCN(CCOc1nc(N)nc2[nH]ncc12)C1CC1
InChIInChI=1S/C11H16N6O/c1-17(7-2-3-7)4-5-18-10-8-6-13-16-9(8)14-11(12)15-10/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyQIOXDZJZLNUOJN-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.41
Rot. Bonds5

About 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 102741163) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID102741163
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCN(CCOc1nc(N)nc2[nH]ncc12)C1CC1
InChIInChI=1S/C11H16N6O/c1-17(7-2-3-7)4-5-18-10-8-6-13-16-9(8)14-11(12)15-10/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyQIOXDZJZLNUOJN-UHFFFAOYSA-N
XLogP0.41
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 102741163) is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CN(CCOc1nc(N)nc2[nH]ncc12)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is QIOXDZJZLNUOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-17(7-2-3-7)4-5-18-10-8-6-13-16-9(8)14-11(12)15-10/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 248.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 102741163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).