5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C20H20N4S — CID 10783950

IUPAC5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccs3)nc(N)c12
InChIInChI=1S/C20H20N4S/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1
InChIKeyDWTKUAPTQWTUCO-CQSZACIVSA-N
MW348.48 g/mol
LogP4.97
Rot. Bonds3

About 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10783950) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10783950
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccs3)nc(N)c12
InChIInChI=1S/C20H20N4S/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1
InChIKeyDWTKUAPTQWTUCO-CQSZACIVSA-N
XLogP4.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 10783950) is 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccs3)nc(N)c12.
What is the InChIKey of 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DWTKUAPTQWTUCO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N4S/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1.
What are the key properties of 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 348.48 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10783950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).