1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C13H14N6 — CID 24905170

IUPAC1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cccnc2)c2c(N)ncnc21
InChIInChI=1S/C13H14N6/c1-8(2)19-13-10(12(14)16-7-17-13)11(18-19)9-4-3-5-15-6-9/h3-8H,1-2H3,(H2,14,16,17)
InChIKeyZGFXAJBFDCMHTM-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.05
Rot. Bonds2

About 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905170) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905170
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cccnc2)c2c(N)ncnc21
InChIInChI=1S/C13H14N6/c1-8(2)19-13-10(12(14)16-7-17-13)11(18-19)9-4-3-5-15-6-9/h3-8H,1-2H3,(H2,14,16,17)
InChIKeyZGFXAJBFDCMHTM-UHFFFAOYSA-N
XLogP2.05
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905170) is 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cccnc2)c2c(N)ncnc21.
What is the InChIKey of 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZGFXAJBFDCMHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8(2)19-13-10(12(14)16-7-17-13)11(18-19)9-4-3-5-15-6-9/h3-8H,1-2H3,(H2,14,16,17).
What are the key properties of 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 254.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).