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

C16H20FN5S — CID 154681093

IUPAC6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2cccs2)c2c(F)c(CCN)n(C)c2n1
InChIInChI=1S/C16H20FN5S/c1-3-12-20-15(19-9-10-5-4-8-23-10)13-14(17)11(6-7-18)22(2)16(13)21-12/h4-5,8H,3,6-7,9,18H2,1-2H3,(H,19,20,21)
InChIKeyAEGSTTRGVNURGS-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.84
Rot. Bonds6

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

6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 154681093) has the molecular formula C16H20FN5S and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID154681093
Molecular FormulaC16H20FN5S
Molecular Weight333.44 g/mol
Exact Mass333.14
IUPAC Name6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2cccs2)c2c(F)c(CCN)n(C)c2n1
InChIInChI=1S/C16H20FN5S/c1-3-12-20-15(19-9-10-5-4-8-23-10)13-14(17)11(6-7-18)22(2)16(13)21-12/h4-5,8H,3,6-7,9,18H2,1-2H3,(H,19,20,21)
InChIKeyAEGSTTRGVNURGS-UHFFFAOYSA-N
XLogP2.84
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.84
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-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 154681093) is 6-(2-aminoethyl)-2-ethyl-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-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2cccs2)c2c(F)c(CCN)n(C)c2n1.
What is the InChIKey of 6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AEGSTTRGVNURGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5S/c1-3-12-20-15(19-9-10-5-4-8-23-10)13-14(17)11(6-7-18)22(2)16(13)21-12/h4-5,8H,3,6-7,9,18H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 333.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-ethyl-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 154681093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).