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'}

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Related Compounds

5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629097
5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 50914455
5-chloro-N-[1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 50914454
5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 58629056
(5-chlorothieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 15746070
5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629036
N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55855620
N-[1-(2-chloro-3-pyridinyl)ethyl]-2-methylcyclopropan-1-amine
CID 115716772
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729650
5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 134373208
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 15916585
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019

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).