4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C12H18N6 — CID 83224574

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCC1CCC(C)N1c1nc(N)nc2[nH]ncc12
InChIInChI=1S/C12H18N6/c1-3-8-5-4-7(2)18(8)11-9-6-14-17-10(9)15-12(13)16-11/h6-8H,3-5H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyFLRKCAFWYAIFII-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.70
Rot. Bonds2

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 83224574) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID83224574
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCC1CCC(C)N1c1nc(N)nc2[nH]ncc12
InChIInChI=1S/C12H18N6/c1-3-8-5-4-7(2)18(8)11-9-6-14-17-10(9)15-12(13)16-11/h6-8H,3-5H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyFLRKCAFWYAIFII-UHFFFAOYSA-N
XLogP1.70
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 83224574) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CCC1CCC(C)N1c1nc(N)nc2[nH]ncc12.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is FLRKCAFWYAIFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-8-5-4-7(2)18(8)11-9-6-14-17-10(9)15-12(13)16-11/h6-8H,3-5H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 246.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 83224574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).