2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H15N7 — CID 146268686

IUPAC2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1Cn1cc2c(N)nc(-c3cnccn3)nc2n1
InChIInChI=1S/C17H15N7/c1-11-4-2-3-5-12(11)9-24-10-13-15(18)21-17(22-16(13)23-24)14-8-19-6-7-20-14/h2-8,10H,9H2,1H3,(H2,18,21,22,23)
InChIKeyYZDRTXBVVPZRMW-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.22
Rot. Bonds3

About 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268686) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268686
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1Cn1cc2c(N)nc(-c3cnccn3)nc2n1
InChIInChI=1S/C17H15N7/c1-11-4-2-3-5-12(11)9-24-10-13-15(18)21-17(22-16(13)23-24)14-8-19-6-7-20-14/h2-8,10H,9H2,1H3,(H2,18,21,22,23)
InChIKeyYZDRTXBVVPZRMW-UHFFFAOYSA-N
XLogP2.22
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 146268686) is 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccccc1Cn1cc2c(N)nc(-c3cnccn3)nc2n1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YZDRTXBVVPZRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-11-4-2-3-5-12(11)9-24-10-13-15(18)21-17(22-16(13)23-24)14-8-19-6-7-20-14/h2-8,10H,9H2,1H3,(H2,18,21,22,23).
What are the key properties of 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 317.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).