1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5O — CID 63221104

IUPAC1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(OCc1nc(N)c2cnn(C)c2n1)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-10(11-6-4-3-5-7-11)21-9-13-18-14(16)12-8-17-20(2)15(12)19-13/h3-8,10H,9H2,1-2H3,(H2,16,18,19)
InChIKeyBTNIACNYZGJHJS-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds4

About 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221104) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221104
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(OCc1nc(N)c2cnn(C)c2n1)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-10(11-6-4-3-5-7-11)21-9-13-18-14(16)12-8-17-20(2)15(12)19-13/h3-8,10H,9H2,1-2H3,(H2,16,18,19)
InChIKeyBTNIACNYZGJHJS-UHFFFAOYSA-N
XLogP2.22
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63221104) is 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(OCc1nc(N)c2cnn(C)c2n1)c1ccccc1.
What is the InChIKey of 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BTNIACNYZGJHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10(11-6-4-3-5-7-11)21-9-13-18-14(16)12-8-17-20(2)15(12)19-13/h3-8,10H,9H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 283.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).