4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C8H10ClN5 — CID 58762804

IUPAC4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCC(C)c1[nH]nc2nc(N)nc(Cl)c12
InChIInChI=1S/C8H10ClN5/c1-3(2)5-4-6(9)11-8(10)12-7(4)14-13-5/h3H,1-2H3,(H3,10,11,12,13,14)
InChIKeyCWEUDDNPYODWKH-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.71
Rot. Bonds1

About 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine

4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 58762804) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID58762804
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCC(C)c1[nH]nc2nc(N)nc(Cl)c12
InChIInChI=1S/C8H10ClN5/c1-3(2)5-4-6(9)11-8(10)12-7(4)14-13-5/h3H,1-2H3,(H3,10,11,12,13,14)
InChIKeyCWEUDDNPYODWKH-UHFFFAOYSA-N
XLogP1.71
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 58762804) is 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine is CC(C)c1[nH]nc2nc(N)nc(Cl)c12.
What is the InChIKey of 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is CWEUDDNPYODWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-3(2)5-4-6(9)11-8(10)12-7(4)14-13-5/h3H,1-2H3,(H3,10,11,12,13,14).
What are the key properties of 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 211.66 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 58762804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).