3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C14H16N6OS — CID 131967239

IUPAC3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3ccc(CN4CCOCC4)s3)c12
InChIInChI=1S/C14H16N6OS/c15-13-11-12(18-19-14(11)17-8-16-13)10-2-1-9(22-10)7-20-3-5-21-6-4-20/h1-2,8H,3-7H2,(H3,15,16,17,18,19)
InChIKeyJEWFGZMUSXNNDI-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.50
Rot. Bonds3

About 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 131967239) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID131967239
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3ccc(CN4CCOCC4)s3)c12
InChIInChI=1S/C14H16N6OS/c15-13-11-12(18-19-14(11)17-8-16-13)10-2-1-9(22-10)7-20-3-5-21-6-4-20/h1-2,8H,3-7H2,(H3,15,16,17,18,19)
InChIKeyJEWFGZMUSXNNDI-UHFFFAOYSA-N
XLogP1.50
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 131967239) is 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(-c3ccc(CN4CCOCC4)s3)c12.
What is the InChIKey of 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JEWFGZMUSXNNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c15-13-11-12(18-19-14(11)17-8-16-13)10-2-1-9(22-10)7-20-3-5-21-6-4-20/h1-2,8H,3-7H2,(H3,15,16,17,18,19).
What are the key properties of 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 316.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 131967239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).