4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C16H15FN4O3S — CID 58413252

IUPAC4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(Nc3cccnc3OCC(C)F)c12
InChIInChI=1S/C16H15FN4O3S/c1-8(17)6-24-14-10(4-3-5-18-14)21-13-11-9(2)12(16(22)23)25-15(11)20-7-19-13/h3-5,7-8H,6H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyLBMFODKVTLYQLI-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.57
Rot. Bonds6

About 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 58413252) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID58413252
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC Name4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(Nc3cccnc3OCC(C)F)c12
InChIInChI=1S/C16H15FN4O3S/c1-8(17)6-24-14-10(4-3-5-18-14)21-13-11-9(2)12(16(22)23)25-15(11)20-7-19-13/h3-5,7-8H,6H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyLBMFODKVTLYQLI-UHFFFAOYSA-N
XLogP3.57
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 58413252) is 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OCC(C)F)c12.
What is the InChIKey of 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is LBMFODKVTLYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-8(17)6-24-14-10(4-3-5-18-14)21-13-11-9(2)12(16(22)23)25-15(11)20-7-19-13/h3-5,7-8H,6H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluoropropoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 58413252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).