4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione

C8H11N3S — CID 3359763

IUPAC4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
SMILESCCc1[nH]c(=S)nc2c1CCN2
InChIInChI=1S/C8H11N3S/c1-2-6-5-3-4-9-7(5)11-8(12)10-6/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyCGZANLSEVCCCIW-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.67
Rot. Bonds1

About 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione

4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione (PubChem CID 3359763) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
PubChem CID3359763
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
SMILESCCc1[nH]c(=S)nc2c1CCN2
InChIInChI=1S/C8H11N3S/c1-2-6-5-3-4-9-7(5)11-8(12)10-6/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyCGZANLSEVCCCIW-UHFFFAOYSA-N
XLogP1.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
CID 83871383
4-Pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 3297399
4-Ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3303938
4-(2-Ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 3447838
4-(2-Methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 3615411
4-(Methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 3872569
4-Tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 3888109
4-(2-Piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 3900203
4-Butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 4022870
4-Cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 4391333
4-(2-Methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 4424835
4-Propyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 4426516

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione?
The IUPAC name of 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione (CID 3359763) is 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione is CCc1[nH]c(=S)nc2c1CCN2.
What is the InChIKey of 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione?
The InChIKey is CGZANLSEVCCCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-6-5-3-4-9-7(5)11-8(12)10-6/h2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione?
4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione has a molecular weight of 181.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione is sourced from PubChem (CID 3359763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).