6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C14H15ClFN5S — CID 155067001

IUPAC6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1c(CCN)c(F)c2c(NCc3cccs3)nc(Cl)nc21
InChIInChI=1S/C14H15ClFN5S/c1-21-9(4-5-17)11(16)10-12(19-14(15)20-13(10)21)18-7-8-3-2-6-22-8/h2-3,6H,4-5,7,17H2,1H3,(H,18,19,20)
InChIKeyHEBRUDZOPCGSAF-UHFFFAOYSA-N
MW339.83 g/mol
LogP2.94
Rot. Bonds5

About 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155067001) has the molecular formula C14H15ClFN5S and a molecular weight of 339.83 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155067001
Molecular FormulaC14H15ClFN5S
Molecular Weight339.83 g/mol
Exact Mass339.07
IUPAC Name6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1c(CCN)c(F)c2c(NCc3cccs3)nc(Cl)nc21
InChIInChI=1S/C14H15ClFN5S/c1-21-9(4-5-17)11(16)10-12(19-14(15)20-13(10)21)18-7-8-3-2-6-22-8/h2-3,6H,4-5,7,17H2,1H3,(H,18,19,20)
InChIKeyHEBRUDZOPCGSAF-UHFFFAOYSA-N
XLogP2.94
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 155067001) is 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cn1c(CCN)c(F)c2c(NCc3cccs3)nc(Cl)nc21.
What is the InChIKey of 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HEBRUDZOPCGSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5S/c1-21-9(4-5-17)11(16)10-12(19-14(15)20-13(10)21)18-7-8-3-2-6-22-8/h2-3,6H,4-5,7,17H2,1H3,(H,18,19,20).
What are the key properties of 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 339.83 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155067001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).