2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione

C12H21N3S — CID 106481415

IUPAC2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)cc(CC(C)C)[nH]1
InChIInChI=1S/C12H21N3S/c1-5-15(6-2)12-13-10(7-9(3)4)8-11(16)14-12/h8-9H,5-7H2,1-4H3,(H,13,14,16)
InChIKeyHUXKIIQVYZVPAE-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.18
Rot. Bonds5

About 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione

2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106481415) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106481415
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)cc(CC(C)C)[nH]1
InChIInChI=1S/C12H21N3S/c1-5-15(6-2)12-13-10(7-9(3)4)8-11(16)14-12/h8-9H,5-7H2,1-4H3,(H,13,14,16)
InChIKeyHUXKIIQVYZVPAE-UHFFFAOYSA-N
XLogP3.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Tert-butyl-2-pyrrolidin-1-ylpyrimidine-4-thiol
CID 33701674
2-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475046
6-propyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475047
2-(azepan-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475069
2-(dimethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475070
2-piperidin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475071
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
6-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475303
2-(azepan-1-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475325
2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475326
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475327
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 106481415) is 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is CCN(CC)c1nc(=S)cc(CC(C)C)[nH]1.
What is the InChIKey of 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is HUXKIIQVYZVPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-15(6-2)12-13-10(7-9(3)4)8-11(16)14-12/h8-9H,5-7H2,1-4H3,(H,13,14,16).
What are the key properties of 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 239.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).