2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H14N6O — CID 146268710

IUPAC2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(Cn2cc3c(N)nc(-c4ncco4)nc3n2)c1
InChIInChI=1S/C16H14N6O/c1-10-3-2-4-11(7-10)8-22-9-12-13(17)19-15(20-14(12)21-22)16-18-5-6-23-16/h2-7,9H,8H2,1H3,(H2,17,19,20,21)
InChIKeyGHNVAYRVEZELKS-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.42
Rot. Bonds3

About 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268710) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268710
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(Cn2cc3c(N)nc(-c4ncco4)nc3n2)c1
InChIInChI=1S/C16H14N6O/c1-10-3-2-4-11(7-10)8-22-9-12-13(17)19-15(20-14(12)21-22)16-18-5-6-23-16/h2-7,9H,8H2,1H3,(H2,17,19,20,21)
InChIKeyGHNVAYRVEZELKS-UHFFFAOYSA-N
XLogP2.42
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268710) is 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(Cn2cc3c(N)nc(-c4ncco4)nc3n2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GHNVAYRVEZELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-10-3-2-4-11(7-10)8-22-9-12-13(17)19-15(20-14(12)21-22)16-18-5-6-23-16/h2-7,9H,8H2,1H3,(H2,17,19,20,21).
What are the key properties of 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 306.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).