5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid

C15H17N5O2S — CID 56708224

IUPAC5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCC(Nc1ncnc2sc(C(=O)O)c(C)c12)c1ccnn1C
InChIInChI=1S/C15H17N5O2S/c1-4-9(10-5-6-18-20(10)3)19-13-11-8(2)12(15(21)22)23-14(11)17-7-16-13/h5-7,9H,4H2,1-3H3,(H,21,22)(H,16,17,19)
InChIKeyXIWHAPILGFATKN-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.99
Rot. Bonds5

About 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 56708224) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID56708224
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCC(Nc1ncnc2sc(C(=O)O)c(C)c12)c1ccnn1C
InChIInChI=1S/C15H17N5O2S/c1-4-9(10-5-6-18-20(10)3)19-13-11-8(2)12(15(21)22)23-14(11)17-7-16-13/h5-7,9H,4H2,1-3H3,(H,21,22)(H,16,17,19)
InChIKeyXIWHAPILGFATKN-UHFFFAOYSA-N
XLogP2.99
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 56708224) is 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid is CCC(Nc1ncnc2sc(C(=O)O)c(C)c12)c1ccnn1C.
What is the InChIKey of 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is XIWHAPILGFATKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-4-9(10-5-6-18-20(10)3)19-13-11-8(2)12(15(21)22)23-14(11)17-7-16-13/h5-7,9H,4H2,1-3H3,(H,21,22)(H,16,17,19).
What are the key properties of 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 331.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[1-(2-methylpyrazol-3-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 56708224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).