N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H20N6OS — CID 70721936

IUPACN-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC(CNc1nc(-c2ccccn2)nc2c1c(C)nn2C)c1cccs1
InChIInChI=1S/C19H20N6OS/c1-12-16-18(21-11-14(26-3)15-8-6-10-27-15)22-17(13-7-4-5-9-20-13)23-19(16)25(2)24-12/h4-10,14H,11H2,1-3H3,(H,21,22,23)
InChIKeyZVZSPUCCGGBGRA-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.59
Rot. Bonds6

About N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70721936) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70721936
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC(CNc1nc(-c2ccccn2)nc2c1c(C)nn2C)c1cccs1
InChIInChI=1S/C19H20N6OS/c1-12-16-18(21-11-14(26-3)15-8-6-10-27-15)22-17(13-7-4-5-9-20-13)23-19(16)25(2)24-12/h4-10,14H,11H2,1-3H3,(H,21,22,23)
InChIKeyZVZSPUCCGGBGRA-UHFFFAOYSA-N
XLogP3.59
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70721936) is N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COC(CNc1nc(-c2ccccn2)nc2c1c(C)nn2C)c1cccs1.
What is the InChIKey of N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZVZSPUCCGGBGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-12-16-18(21-11-14(26-3)15-8-6-10-27-15)22-17(13-7-4-5-9-20-13)23-19(16)25(2)24-12/h4-10,14H,11H2,1-3H3,(H,21,22,23).
What are the key properties of N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 380.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-2-ylethyl)-1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70721936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).