2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione

C11H17N3OS — CID 82457236

IUPAC2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCC2CCCO2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-2-9-13-10(6-11(16)14-9)12-7-8-4-3-5-15-8/h6,8H,2-5,7H2,1H3,(H2,12,13,14,16)
InChIKeyHPZBMNRKCZKQEE-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.29
Rot. Bonds4

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

2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione (PubChem CID 82457236) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
PubChem CID82457236
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCC2CCCO2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-2-9-13-10(6-11(16)14-9)12-7-8-4-3-5-15-8/h6,8H,2-5,7H2,1H3,(H2,12,13,14,16)
InChIKeyHPZBMNRKCZKQEE-UHFFFAOYSA-N
XLogP2.29
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457111
2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457174
6-(oxolan-2-ylmethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457297
6-(oxolan-2-ylmethylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457354
2-tert-butyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457408
2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457463
2-cyclopropyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457521
2-cyclohexyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457570
6-(methylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457583
6-(ethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457584
2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457585
6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457586

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione (CID 82457236) is 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NCC2CCCO2)[nH]1.
What is the InChIKey of 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
The InChIKey is HPZBMNRKCZKQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-9-13-10(6-11(16)14-9)12-7-8-4-3-5-15-8/h6,8H,2-5,7H2,1H3,(H2,12,13,14,16).
What are the key properties of 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione has a molecular weight of 239.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).