6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

C13H13N3OS — CID 19004986

IUPAC6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CCc3ccsc3)cnc2[nH]1
InChIInChI=1S/C13H13N3OS/c1-9-6-11-12(15-9)14-8-16(13(11)17)4-2-10-3-5-18-7-10/h3,5-8,15H,2,4H2,1H3
InChIKeyMUPWMLWPNBLTIL-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.34
Rot. Bonds3

About 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 19004986) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID19004986
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CCc3ccsc3)cnc2[nH]1
InChIInChI=1S/C13H13N3OS/c1-9-6-11-12(15-9)14-8-16(13(11)17)4-2-10-3-5-18-7-10/h3,5-8,15H,2,4H2,1H3
InChIKeyMUPWMLWPNBLTIL-UHFFFAOYSA-N
XLogP2.34
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one (CID 19004986) is 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(CCc3ccsc3)cnc2[nH]1.
What is the InChIKey of 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is MUPWMLWPNBLTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-6-11-12(15-9)14-8-16(13(11)17)4-2-10-3-5-18-7-10/h3,5-8,15H,2,4H2,1H3.
What are the key properties of 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 259.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19004986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).