2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione

C10H17N3O2S — CID 82457215

IUPAC2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCOCCO)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-8-12-9(7-10(16)13-8)11-3-5-15-6-4-14/h7,14H,2-6H2,1H3,(H2,11,12,13,16)
InChIKeyCYVOZTANVRQLCJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.12
Rot. Bonds7

About 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione

2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione (PubChem CID 82457215) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione
PubChem CID82457215
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCOCCO)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-8-12-9(7-10(16)13-8)11-3-5-15-6-4-14/h7,14H,2-6H2,1H3,(H2,11,12,13,16)
InChIKeyCYVOZTANVRQLCJ-UHFFFAOYSA-N
XLogP1.12
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione (CID 82457215) is 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NCCOCCO)[nH]1.
What is the InChIKey of 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione?
The InChIKey is CYVOZTANVRQLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-8-12-9(7-10(16)13-8)11-3-5-15-6-4-14/h7,14H,2-6H2,1H3,(H2,11,12,13,16).
What are the key properties of 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione?
2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione has a molecular weight of 243.33 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).