N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine

C16H19N5 — CID 2475280

IUPACN-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCn1ncc2c(Nc3ccc(C)c(C)c3)ncnc21
InChIInChI=1S/C16H19N5/c1-4-7-21-16-14(9-19-21)15(17-10-18-16)20-13-6-5-11(2)12(3)8-13/h5-6,8-10H,4,7H2,1-3H3,(H,17,18,20)
InChIKeyKWZRYRNXGKAAFQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.60
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 2475280) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID2475280
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCn1ncc2c(Nc3ccc(C)c(C)c3)ncnc21
InChIInChI=1S/C16H19N5/c1-4-7-21-16-14(9-19-21)15(17-10-18-16)20-13-6-5-11(2)12(3)8-13/h5-6,8-10H,4,7H2,1-3H3,(H,17,18,20)
InChIKeyKWZRYRNXGKAAFQ-UHFFFAOYSA-N
XLogP3.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 2475280) is N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCn1ncc2c(Nc3ccc(C)c(C)c3)ncnc21.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KWZRYRNXGKAAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-7-21-16-14(9-19-21)15(17-10-18-16)20-13-6-5-11(2)12(3)8-13/h5-6,8-10H,4,7H2,1-3H3,(H,17,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 2475280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).