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

C16H14N6OS — CID 146268704

IUPAC2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cn1cc2c(N)nc(-c3ccsn3)nc2n1
InChIInChI=1S/C16H14N6OS/c1-23-13-5-3-2-4-10(13)8-22-9-11-14(17)18-16(19-15(11)20-22)12-6-7-24-21-12/h2-7,9H,8H2,1H3,(H2,17,18,19,20)
InChIKeyXKJIDXSLMAPNEX-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.59
Rot. Bonds4

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

2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268704) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268704
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cn1cc2c(N)nc(-c3ccsn3)nc2n1
InChIInChI=1S/C16H14N6OS/c1-23-13-5-3-2-4-10(13)8-22-9-11-14(17)18-16(19-15(11)20-22)12-6-7-24-21-12/h2-7,9H,8H2,1H3,(H2,17,18,19,20)
InChIKeyXKJIDXSLMAPNEX-UHFFFAOYSA-N
XLogP2.59
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268704) is 2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccccc1Cn1cc2c(N)nc(-c3ccsn3)nc2n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XKJIDXSLMAPNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-23-13-5-3-2-4-10(13)8-22-9-11-14(17)18-16(19-15(11)20-22)12-6-7-24-21-12/h2-7,9H,8H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).