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

C15H19N3O2S — CID 114546980

IUPAC4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(NC3CCC(C)(C)C3)c12
InChIInChI=1S/C15H19N3O2S/c1-8-10-12(18-9-4-5-15(2,3)6-9)16-7-17-13(10)21-11(8)14(19)20/h7,9H,4-6H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyXBDYCVUCDSOFLS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.69
Rot. Bonds3

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

4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 114546980) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID114546980
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(NC3CCC(C)(C)C3)c12
InChIInChI=1S/C15H19N3O2S/c1-8-10-12(18-9-4-5-15(2,3)6-9)16-7-17-13(10)21-11(8)14(19)20/h7,9H,4-6H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyXBDYCVUCDSOFLS-UHFFFAOYSA-N
XLogP3.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 114546980) is 4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(NC3CCC(C)(C)C3)c12.
What is the InChIKey of 4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is XBDYCVUCDSOFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-8-10-12(18-9-4-5-15(2,3)6-9)16-7-17-13(10)21-11(8)14(19)20/h7,9H,4-6H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 114546980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).