methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate

C13H10N4O2S — CID 137429795

IUPACmethyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1csc2nc(-c3ccccn3)nc(N)c12
InChIInChI=1S/C13H10N4O2S/c1-19-13(18)7-6-20-12-9(7)10(14)16-11(17-12)8-4-2-3-5-15-8/h2-6H,1H3,(H2,14,16,17)
InChIKeyAOHXYYAHOZTVLW-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.12
Rot. Bonds2

About methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate

methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate (PubChem CID 137429795) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
PubChem CID137429795
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Namemethyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1csc2nc(-c3ccccn3)nc(N)c12
InChIInChI=1S/C13H10N4O2S/c1-19-13(18)7-6-20-12-9(7)10(14)16-11(17-12)8-4-2-3-5-15-8/h2-6H,1H3,(H2,14,16,17)
InChIKeyAOHXYYAHOZTVLW-UHFFFAOYSA-N
XLogP2.12
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate (CID 137429795) is methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1csc2nc(-c3ccccn3)nc(N)c12.
What is the InChIKey of methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is AOHXYYAHOZTVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-19-13(18)7-6-20-12-9(7)10(14)16-11(17-12)8-4-2-3-5-15-8/h2-6H,1H3,(H2,14,16,17).
What are the key properties of methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 286.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 137429795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).