N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine

C15H17N5S — CID 20912649

IUPACN-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
SMILESc1nc(NCCc2ccsc2)c2nc3n(c2n1)CCCC3
InChIInChI=1S/C15H17N5S/c1-2-7-20-12(3-1)19-13-14(17-10-18-15(13)20)16-6-4-11-5-8-21-9-11/h5,8-10H,1-4,6-7H2,(H,16,17,18)
InChIKeyCSJPBFCAXIPYFN-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.88
Rot. Bonds4

About N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine

N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine (PubChem CID 20912649) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
PubChem CID20912649
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
SMILESc1nc(NCCc2ccsc2)c2nc3n(c2n1)CCCC3
InChIInChI=1S/C15H17N5S/c1-2-7-20-12(3-1)19-13-14(17-10-18-15(13)20)16-6-4-11-5-8-21-9-11/h5,8-10H,1-4,6-7H2,(H,16,17,18)
InChIKeyCSJPBFCAXIPYFN-UHFFFAOYSA-N
XLogP2.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The IUPAC name of N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine (CID 20912649) is N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine.
What is the SMILES notation for N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The canonical SMILES for N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine is c1nc(NCCc2ccsc2)c2nc3n(c2n1)CCCC3.
What is the InChIKey of N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The InChIKey is CSJPBFCAXIPYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-2-7-20-12(3-1)19-13-14(17-10-18-15(13)20)16-6-4-11-5-8-21-9-11/h5,8-10H,1-4,6-7H2,(H,16,17,18).
What are the key properties of N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-3-ylethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine is sourced from PubChem (CID 20912649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).