3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane

C10H15N3S — CID 144823557

IUPAC3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane
SMILESCC.Cc1c[nH]c2nc(=S)n(C)cc12
InChIInChI=1S/C8H9N3S.C2H6/c1-5-3-9-7-6(5)4-11(2)8(12)10-7;1-2/h3-4H,1-2H3,(H,9,10,12);1-2H3
InChIKeyFVMOOWJGVWJDJW-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.97
Rot. Bonds

About 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane

3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane (PubChem CID 144823557) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane.

Molecular Properties

Compound Name3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane
PubChem CID144823557
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane
SMILESCC.Cc1c[nH]c2nc(=S)n(C)cc12
InChIInChI=1S/C8H9N3S.C2H6/c1-5-3-9-7-6(5)4-11(2)8(12)10-7;1-2/h3-4H,1-2H3,(H,9,10,12);1-2H3
InChIKeyFVMOOWJGVWJDJW-UHFFFAOYSA-N
XLogP2.97
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane?
The IUPAC name of 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane (CID 144823557) is 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane.
What is the SMILES notation for 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane?
The canonical SMILES for 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane is CC.Cc1c[nH]c2nc(=S)n(C)cc12.
What is the InChIKey of 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane?
The InChIKey is FVMOOWJGVWJDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S.C2H6/c1-5-3-9-7-6(5)4-11(2)8(12)10-7;1-2/h3-4H,1-2H3,(H,9,10,12);1-2H3.
What are the key properties of 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane?
3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane has a molecular weight of 209.32 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione;ethane is sourced from PubChem (CID 144823557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).