(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine

C11H10N4S — CID 103316839

IUPAC(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCc1ccnc2cc(-c3cccs3)nn12
InChIInChI=1S/C11H10N4S/c12-7-8-3-4-13-11-6-9(14-15(8)11)10-2-1-5-16-10/h1-6H,7,12H2
InChIKeyRLKJLMTWRNFDMN-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.92
Rot. Bonds2

About (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine

(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine (PubChem CID 103316839) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine.

Molecular Properties

Compound Name(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
PubChem CID103316839
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCc1ccnc2cc(-c3cccs3)nn12
InChIInChI=1S/C11H10N4S/c12-7-8-3-4-13-11-6-9(14-15(8)11)10-2-1-5-16-10/h1-6H,7,12H2
InChIKeyRLKJLMTWRNFDMN-UHFFFAOYSA-N
XLogP1.92
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The IUPAC name of (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine (CID 103316839) is (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine.
What is the SMILES notation for (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The canonical SMILES for (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine is NCc1ccnc2cc(-c3cccs3)nn12.
What is the InChIKey of (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The InChIKey is RLKJLMTWRNFDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-7-8-3-4-13-11-6-9(14-15(8)11)10-2-1-5-16-10/h1-6H,7,12H2.
What are the key properties of (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine has a molecular weight of 230.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine is sourced from PubChem (CID 103316839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).