5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C13H10Cl2N4S — CID 58629016

IUPAC5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2scc(Cl)c12)c1cccnc1Cl
InChIInChI=1S/C13H10Cl2N4S/c1-7(8-3-2-4-16-11(8)15)19-12-10-9(14)5-20-13(10)18-6-17-12/h2-7H,1H3,(H,17,18,19)
InChIKeyRVORRUOQDHOZQO-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.57
Rot. Bonds3

About 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 58629016) has the molecular formula C13H10Cl2N4S and a molecular weight of 325.22 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID58629016
Molecular FormulaC13H10Cl2N4S
Molecular Weight325.22 g/mol
Exact Mass324.00
IUPAC Name5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2scc(Cl)c12)c1cccnc1Cl
InChIInChI=1S/C13H10Cl2N4S/c1-7(8-3-2-4-16-11(8)15)19-12-10-9(14)5-20-13(10)18-6-17-12/h2-7H,1H3,(H,17,18,19)
InChIKeyRVORRUOQDHOZQO-UHFFFAOYSA-N
XLogP4.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine 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 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 58629016) is 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2scc(Cl)c12)c1cccnc1Cl.
What is the InChIKey of 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RVORRUOQDHOZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4S/c1-7(8-3-2-4-16-11(8)15)19-12-10-9(14)5-20-13(10)18-6-17-12/h2-7H,1H3,(H,17,18,19).
What are the key properties of 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 325.22 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58629016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).