3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione

C16H19N5O2 — CID 25178069

IUPAC3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)[nH]nc21
InChIInChI=1S/C16H19N5O2/c1-10(2)9-21-14-12(15(22)20(3)16(21)23)13(18-19-14)17-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19)
InChIKeyHTENNXXGAZOEPC-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.82
Rot. Bonds4

About 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione

3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 25178069) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID25178069
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)[nH]nc21
InChIInChI=1S/C16H19N5O2/c1-10(2)9-21-14-12(15(22)20(3)16(21)23)13(18-19-14)17-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19)
InChIKeyHTENNXXGAZOEPC-UHFFFAOYSA-N
XLogP1.82
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 25178069) is 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione is CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)[nH]nc21.
What is the InChIKey of 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is HTENNXXGAZOEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)9-21-14-12(15(22)20(3)16(21)23)13(18-19-14)17-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19).
What are the key properties of 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 313.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-methyl-7-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 25178069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).