4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C14H16N2O3S — CID 66323880

IUPAC4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(OCC3CCCC3)c12
InChIInChI=1S/C14H16N2O3S/c1-8-10-12(19-6-9-4-2-3-5-9)15-7-16-13(10)20-11(8)14(17)18/h7,9H,2-6H2,1H3,(H,17,18)
InChIKeyBQQUZNIIKNTRKG-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.27
Rot. Bonds4

About 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 66323880) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID66323880
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(OCC3CCCC3)c12
InChIInChI=1S/C14H16N2O3S/c1-8-10-12(19-6-9-4-2-3-5-9)15-7-16-13(10)20-11(8)14(17)18/h7,9H,2-6H2,1H3,(H,17,18)
InChIKeyBQQUZNIIKNTRKG-UHFFFAOYSA-N
XLogP3.27
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 658409
4-Methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 9106586
Ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 735546
Methyl 4-(3-cyanophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 57971568
Methyl 5-methyl-4-phenoxythieno[2,3-d]pyrimidine-6-carboxylate
CID 57971569
Ethyl 4-(3-fluorophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 20963310
Ethyl 4-(4-fluorophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 20963311
Ethyl 4-(2-fluorophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 29458087
Ethyl 4-[(3,4-difluorophenyl)methoxy]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 46346828
2,5-Dimethyl-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 141529938
Methyl 2,5-dimethyl-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]thieno[2,3-d]pyrimidine-6-carboxylate
CID 141529954
Ethyl 5-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine-6-carboxylate
CID 20963309

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 66323880) is 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(OCC3CCCC3)c12.
What is the InChIKey of 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is BQQUZNIIKNTRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-10-12(19-6-9-4-2-3-5-9)15-7-16-13(10)20-11(8)14(17)18/h7,9H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 66323880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).