4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C12H11N5O2S — CID 46983153

IUPAC4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(NCc3ncc[nH]3)c12
InChIInChI=1S/C12H11N5O2S/c1-6-8-10(15-4-7-13-2-3-14-7)16-5-17-11(8)20-9(6)12(18)19/h2-3,5H,4H2,1H3,(H,13,14)(H,18,19)(H,15,16,17)
InChIKeyHEMZOBFDTZAFHQ-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.03
Rot. Bonds4

About 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 46983153) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID46983153
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(NCc3ncc[nH]3)c12
InChIInChI=1S/C12H11N5O2S/c1-6-8-10(15-4-7-13-2-3-14-7)16-5-17-11(8)20-9(6)12(18)19/h2-3,5H,4H2,1H3,(H,13,14)(H,18,19)(H,15,16,17)
InChIKeyHEMZOBFDTZAFHQ-UHFFFAOYSA-N
XLogP2.03
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 46983153) is 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(NCc3ncc[nH]3)c12.
What is the InChIKey of 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is HEMZOBFDTZAFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-6-8-10(15-4-7-13-2-3-14-7)16-5-17-11(8)20-9(6)12(18)19/h2-3,5H,4H2,1H3,(H,13,14)(H,18,19)(H,15,16,17).
What are the key properties of 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46983153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).