4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane

C16H23N3O3S — CID 164585215

IUPAC4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane
SMILESCCOC.COC1CCC(Nc2nc(C=O)nc3sccc23)C1
InChIInChI=1S/C13H15N3O2S.C3H8O/c1-18-9-3-2-8(6-9)14-12-10-4-5-19-13(10)16-11(7-17)15-12;1-3-4-2/h4-5,7-9H,2-3,6H2,1H3,(H,14,15,16);3H2,1-2H3
InChIKeyFYJHBWXABVPMIY-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.14
Rot. Bonds5

About 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane

4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane (PubChem CID 164585215) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane.

Molecular Properties

Compound Name4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane
PubChem CID164585215
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane
SMILESCCOC.COC1CCC(Nc2nc(C=O)nc3sccc23)C1
InChIInChI=1S/C13H15N3O2S.C3H8O/c1-18-9-3-2-8(6-9)14-12-10-4-5-19-13(10)16-11(7-17)15-12;1-3-4-2/h4-5,7-9H,2-3,6H2,1H3,(H,14,15,16);3H2,1-2H3
InChIKeyFYJHBWXABVPMIY-UHFFFAOYSA-N
XLogP3.14
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane?
The IUPAC name of 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane (CID 164585215) is 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane.
What is the SMILES notation for 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane?
The canonical SMILES for 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane is CCOC.COC1CCC(Nc2nc(C=O)nc3sccc23)C1.
What is the InChIKey of 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane?
The InChIKey is FYJHBWXABVPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S.C3H8O/c1-18-9-3-2-8(6-9)14-12-10-4-5-19-13(10)16-11(7-17)15-12;1-3-4-2/h4-5,7-9H,2-3,6H2,1H3,(H,14,15,16);3H2,1-2H3.
What are the key properties of 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane?
4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane has a molecular weight of 337.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane is sourced from PubChem (CID 164585215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).