2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione

C11H17N3OS — CID 82457585

IUPAC2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-7(2)12-9-6-10(16)14-11(13-9)8-4-3-5-15-8/h6-8H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyXZPJGWSXKVFARV-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.81
Rot. Bonds3

About 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione

2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457585) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457585
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-7(2)12-9-6-10(16)14-11(13-9)8-4-3-5-15-8/h6-8H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyXZPJGWSXKVFARV-UHFFFAOYSA-N
XLogP2.81
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457111
2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457174
2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457236
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
6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 82457452
2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457463
2-cyclopropyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457521
6-(methylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457583
6-(ethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457584
6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457586

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457585) is 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is CC(C)Nc1cc(=S)nc(C2CCCO2)[nH]1.
What is the InChIKey of 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is XZPJGWSXKVFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)12-9-6-10(16)14-11(13-9)8-4-3-5-15-8/h6-8H,3-5H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 239.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).