Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate

Name: Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₁N₅O₂S — CID 50907063

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate

SMILESCOC(=O)c1sc2cc(Nc3ncccn3)cnc2c1N

InChIInChI=1S/C13H11N5O2S/c1-20-12(19)11-9(14)10-8(21-11)5-7(6-17-10)18-13-15-3-2-4-16-13/h2-6H,14H2,1H3,(H,15,16,18)

InChIKeyRKJZATKCWQAMHW-UHFFFAOYSA-N

MW301.33 g/mol

LogP2.20

Rot. Bonds3

About Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate

Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50907063) has the molecular formula C₁₃H₁₁N₅O₂S and a molecular weight of 301.33 g/mol. Its IUPAC name is methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name	Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID	50907063
Molecular Formula	C₁₃H₁₁N₅O₂S
Molecular Weight	301.33 g/mol
Exact Mass	301.06
IUPAC Name	methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
SMILES	COC(=O)c1sc2cc(Nc3ncccn3)cnc2c1N
InChI	InChI=1S/C13H11N5O2S/c1-20-12(19)11-9(14)10-8(21-11)5-7(6-17-10)18-13-15-3-2-4-16-13/h2-6H,14H2,1H3,(H,15,16,18)
InChIKey	RKJZATKCWQAMHW-UHFFFAOYSA-N
XLogP	2.20
TPSA	103.02 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.33
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate?

The IUPAC name of Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate (CID 50907063) is methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate.

What is the SMILES notation for Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate?

The canonical SMILES for Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(Nc3ncccn3)cnc2c1N.

What is the InChIKey of Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate?

The InChIKey is RKJZATKCWQAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-20-12(19)11-9(14)10-8(21-11)5-7(6-17-10)18-13-15-3-2-4-16-13/h2-6H,14H2,1H3,(H,15,16,18).

What are the key properties of Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate?

Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 301.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50907063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 50907063 — identifiers, structure, computed properties (public domain)

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