5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine

C15H14N6O2S — CID 75431408

IUPAC5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(c3ncnc4sccc34)C2)nc1
InChIInChI=1S/C15H14N6O2S/c22-21(23)11-1-2-13(16-7-11)19-10-3-5-20(8-10)14-12-4-6-24-15(12)18-9-17-14/h1-2,4,6-7,9-10H,3,5,8H2,(H,16,19)
InChIKeyJVGZCHCGXLWZLA-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.69
Rot. Bonds4

About 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine

5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine (PubChem CID 75431408) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine
PubChem CID75431408
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC Name5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(c3ncnc4sccc34)C2)nc1
InChIInChI=1S/C15H14N6O2S/c22-21(23)11-1-2-13(16-7-11)19-10-3-5-20(8-10)14-12-4-6-24-15(12)18-9-17-14/h1-2,4,6-7,9-10H,3,5,8H2,(H,16,19)
InChIKeyJVGZCHCGXLWZLA-UHFFFAOYSA-N
XLogP2.69
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 944383
4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887431
2-(Pyridin-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62188496
4-Imidazo[1,5-a]pyridin-3-ylsulfanylthieno[2,3-d]pyrimidine
CID 17455097
2-pyridin-4-yl-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-4,7-diamine
CID 89587698
2-[2-(propan-2-ylamino)-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89596274
(2S)-1-N-(6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)propane-1,2-diamine
CID 89596562
(2R)-1-N-(6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)propane-1,2-diamine
CID 89596565
2-pyridin-4-yl-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 117666591
N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2531831
Cambridge id 5251818
CID 2837438

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine?
The IUPAC name of 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine (CID 75431408) is 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine?
The canonical SMILES for 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine is O=[N+]([O-])c1ccc(NC2CCN(c3ncnc4sccc34)C2)nc1.
What is the InChIKey of 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine?
The InChIKey is JVGZCHCGXLWZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S/c22-21(23)11-1-2-13(16-7-11)19-10-3-5-20(8-10)14-12-4-6-24-15(12)18-9-17-14/h1-2,4,6-7,9-10H,3,5,8H2,(H,16,19).
What are the key properties of 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine?
5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine has a molecular weight of 342.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 75431408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).