4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid

C13H15N3O2S — CID 99988036

IUPAC4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(NC3CCCCC3)ncnc2s1
InChIInChI=1S/C13H15N3O2S/c17-13(18)10-6-9-11(14-7-15-12(9)19-10)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H,14,15,16)
InChIKeyRXXSSNUMGBPFRW-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.13
Rot. Bonds3

About 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid

4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 99988036) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID99988036
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(NC3CCCCC3)ncnc2s1
InChIInChI=1S/C13H15N3O2S/c17-13(18)10-6-9-11(14-7-15-12(9)19-10)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H,14,15,16)
InChIKeyRXXSSNUMGBPFRW-UHFFFAOYSA-N
XLogP3.13
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 99988036) is 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc2c(NC3CCCCC3)ncnc2s1.
What is the InChIKey of 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is RXXSSNUMGBPFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-13(18)10-6-9-11(14-7-15-12(9)19-10)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H,14,15,16).
What are the key properties of 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 99988036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).