2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione

C8H13N3OS — CID 82457250

IUPAC2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCO)[nH]1
InChIInChI=1S/C8H13N3OS/c1-2-6-10-7(9-3-4-12)5-8(13)11-6/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyOJTZVNMEXRDOCY-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.11
Rot. Bonds4

About 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione

2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione (PubChem CID 82457250) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione
PubChem CID82457250
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCO)[nH]1
InChIInChI=1S/C8H13N3OS/c1-2-6-10-7(9-3-4-12)5-8(13)11-6/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyOJTZVNMEXRDOCY-UHFFFAOYSA-N
XLogP1.11
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione (CID 82457250) is 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NCCO)[nH]1.
What is the InChIKey of 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione?
The InChIKey is OJTZVNMEXRDOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-6-10-7(9-3-4-12)5-8(13)11-6/h5,12H,2-4H2,1H3,(H2,9,10,11,13).
What are the key properties of 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione?
2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione has a molecular weight of 199.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).