2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one

C13H17N3OS — CID 118719988

IUPAC2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2ccsc2c1=O
InChIInChI=1S/C13H17N3OS/c1-2-16-12(17)11-10(7-8-18-11)15-13(16)14-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyFAIGGAVXXQBABU-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.83
Rot. Bonds3

About 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one

2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118719988) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
PubChem CID118719988
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2ccsc2c1=O
InChIInChI=1S/C13H17N3OS/c1-2-16-12(17)11-10(7-8-18-11)15-13(16)14-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyFAIGGAVXXQBABU-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (CID 118719988) is 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCCC2)nc2ccsc2c1=O.
What is the InChIKey of 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is FAIGGAVXXQBABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-16-12(17)11-10(7-8-18-11)15-13(16)14-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 263.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118719988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).