N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C11H14N8 — CID 115320078

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCn3cc(N)cn3)ncnc21
InChIInChI=1S/C11H14N8/c1-18-11-9(5-16-18)10(14-7-15-11)13-2-3-19-6-8(12)4-17-19/h4-7H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyCLGNGSBNFWHPNU-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.25
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 115320078) has the molecular formula C11H14N8 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID115320078
Molecular FormulaC11H14N8
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCn3cc(N)cn3)ncnc21
InChIInChI=1S/C11H14N8/c1-18-11-9(5-16-18)10(14-7-15-11)13-2-3-19-6-8(12)4-17-19/h4-7H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyCLGNGSBNFWHPNU-UHFFFAOYSA-N
XLogP0.25
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 115320078) is N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCCn3cc(N)cn3)ncnc21.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CLGNGSBNFWHPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8/c1-18-11-9(5-16-18)10(14-7-15-11)13-2-3-19-6-8(12)4-17-19/h4-7H,2-3,12H2,1H3,(H,13,14,15).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 258.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 115320078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).