4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine

C17H10ClFN4S — CID 73292453

IUPAC4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccs2)cc(-c2cc3cc(F)ccc3nc2Cl)n1
InChIInChI=1S/C17H10ClFN4S/c18-16-11(7-9-6-10(19)3-4-12(9)21-16)13-8-14(23-17(20)22-13)15-2-1-5-24-15/h1-8H,(H2,20,22,23)
InChIKeyBQENKGNCKYUXNM-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.80
Rot. Bonds2

About 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine

4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 73292453) has the molecular formula C17H10ClFN4S and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID73292453
Molecular FormulaC17H10ClFN4S
Molecular Weight356.81 g/mol
Exact Mass356.03
IUPAC Name4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccs2)cc(-c2cc3cc(F)ccc3nc2Cl)n1
InChIInChI=1S/C17H10ClFN4S/c18-16-11(7-9-6-10(19)3-4-12(9)21-16)13-8-14(23-17(20)22-13)15-2-1-5-24-15/h1-8H,(H2,20,22,23)
InChIKeyBQENKGNCKYUXNM-UHFFFAOYSA-N
XLogP4.80
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.80
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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Related Compounds

Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 25147772
4-(5-(4-chlorophenyl)thiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 49786171
4-Chloro-2-(thiophen-2-yl)quinazoline
CID 2090994
4-[4-(2-Fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 2469099
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573666
2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3233331
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 25178552
6-chloro-2-(4-methylpiperazin-1-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 25178553
6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-3-ylmethyl)quinazolin-4-amine
CID 25179125
6-chloro-2-(4-methylpiperazin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 25179127
6-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
CID 44142048

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine (CID 73292453) is 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine is Nc1nc(-c2cccs2)cc(-c2cc3cc(F)ccc3nc2Cl)n1.
What is the InChIKey of 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is BQENKGNCKYUXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4S/c18-16-11(7-9-6-10(19)3-4-12(9)21-16)13-8-14(23-17(20)22-13)15-2-1-5-24-15/h1-8H,(H2,20,22,23).
What are the key properties of 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine?
4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 356.81 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluoroquinolin-3-yl)-6-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 73292453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).