4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione

C10H15N3OS — CID 3447838

IUPAC4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
SMILESCCOCCc1[nH]c(=S)nc2c1CCN2
InChIInChI=1S/C10H15N3OS/c1-2-14-6-4-8-7-3-5-11-9(7)13-10(15)12-8/h2-6H2,1H3,(H2,11,12,13,15)
InChIKeyQREZWCSPOQLWLE-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.69
Rot. Bonds4

About 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione

4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione (PubChem CID 3447838) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
PubChem CID3447838
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
SMILESCCOCCc1[nH]c(=S)nc2c1CCN2
InChIInChI=1S/C10H15N3OS/c1-2-14-6-4-8-7-3-5-11-9(7)13-10(15)12-8/h2-6H2,1H3,(H2,11,12,13,15)
InChIKeyQREZWCSPOQLWLE-UHFFFAOYSA-N
XLogP1.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione?
The IUPAC name of 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione (CID 3447838) is 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione is CCOCCc1[nH]c(=S)nc2c1CCN2.
What is the InChIKey of 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione?
The InChIKey is QREZWCSPOQLWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-14-6-4-8-7-3-5-11-9(7)13-10(15)12-8/h2-6H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione?
4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione has a molecular weight of 225.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione is sourced from PubChem (CID 3447838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).