4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C15H17N5O3S — CID 56702541

IUPAC4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOCC(Nc1ncnc2sc(C(=O)O)c(C)c12)c1ccnn1C
InChIInChI=1S/C15H17N5O3S/c1-8-11-13(16-7-17-14(11)24-12(8)15(21)22)19-9(6-23-3)10-4-5-18-20(10)2/h4-5,7,9H,6H2,1-3H3,(H,21,22)(H,16,17,19)
InChIKeyNIVTUERXQAPHEL-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.23
Rot. Bonds6

About 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 56702541) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID56702541
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOCC(Nc1ncnc2sc(C(=O)O)c(C)c12)c1ccnn1C
InChIInChI=1S/C15H17N5O3S/c1-8-11-13(16-7-17-14(11)24-12(8)15(21)22)19-9(6-23-3)10-4-5-18-20(10)2/h4-5,7,9H,6H2,1-3H3,(H,21,22)(H,16,17,19)
InChIKeyNIVTUERXQAPHEL-UHFFFAOYSA-N
XLogP2.23
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 56702541) is 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is COCC(Nc1ncnc2sc(C(=O)O)c(C)c12)c1ccnn1C.
What is the InChIKey of 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is NIVTUERXQAPHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-8-11-13(16-7-17-14(11)24-12(8)15(21)22)19-9(6-23-3)10-4-5-18-20(10)2/h4-5,7,9H,6H2,1-3H3,(H,21,22)(H,16,17,19).
What are the key properties of 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 56702541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).