6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine

C11H7ClN4S — CID 155341024

IUPAC6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c(-c3cccs3)cc(Cl)nc12
InChIInChI=1S/C11H7ClN4S/c12-8-4-6(7-2-1-3-17-7)9-10(16-8)11(13)15-5-14-9/h1-5H,(H2,13,14,15)
InChIKeyUAJBFNYTMBDKPQ-UHFFFAOYSA-N
MW262.73 g/mol
LogP2.99
Rot. Bonds1

About 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine

6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 155341024) has the molecular formula C11H7ClN4S and a molecular weight of 262.73 g/mol. Its IUPAC name is 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID155341024
Molecular FormulaC11H7ClN4S
Molecular Weight262.73 g/mol
Exact Mass262.01
IUPAC Name6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c(-c3cccs3)cc(Cl)nc12
InChIInChI=1S/C11H7ClN4S/c12-8-4-6(7-2-1-3-17-7)9-10(16-8)11(13)15-5-14-9/h1-5H,(H2,13,14,15)
InChIKeyUAJBFNYTMBDKPQ-UHFFFAOYSA-N
XLogP2.99
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine (CID 155341024) is 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2c(-c3cccs3)cc(Cl)nc12.
What is the InChIKey of 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is UAJBFNYTMBDKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S/c12-8-4-6(7-2-1-3-17-7)9-10(16-8)11(13)15-5-14-9/h1-5H,(H2,13,14,15).
What are the key properties of 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine?
6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 262.73 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 155341024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).