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

C17H19N5O3S — CID 53374794

IUPAC4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(Nc3cccnc3OC(C)CCN)c12
InChIInChI=1S/C17H19N5O3S/c1-9(5-6-18)25-15-11(4-3-7-19-15)22-14-12-10(2)13(17(23)24)26-16(12)21-8-20-14/h3-4,7-9H,5-6,18H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyAEZIQAFYPBDDDR-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.95
Rot. Bonds7

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

4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 53374794) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID53374794
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(Nc3cccnc3OC(C)CCN)c12
InChIInChI=1S/C17H19N5O3S/c1-9(5-6-18)25-15-11(4-3-7-19-15)22-14-12-10(2)13(17(23)24)26-16(12)21-8-20-14/h3-4,7-9H,5-6,18H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyAEZIQAFYPBDDDR-UHFFFAOYSA-N
XLogP2.95
TPSA123.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 53374794) is 4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OC(C)CCN)c12.
What is the InChIKey of 4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is AEZIQAFYPBDDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-9(5-6-18)25-15-11(4-3-7-19-15)22-14-12-10(2)13(17(23)24)26-16(12)21-8-20-14/h3-4,7-9H,5-6,18H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 373.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-aminobutan-2-yloxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 53374794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).