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

C12H22N4S — CID 82457210

IUPAC6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCN(CC)CC)[nH]1
InChIInChI=1S/C12H22N4S/c1-4-10-14-11(9-12(17)15-10)13-7-8-16(5-2)6-3/h9H,4-8H2,1-3H3,(H2,13,14,15,17)
InChIKeyRZLYOIKJCXWZEV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.46
Rot. Bonds7

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

6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione (PubChem CID 82457210) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione
PubChem CID82457210
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCN(CC)CC)[nH]1
InChIInChI=1S/C12H22N4S/c1-4-10-14-11(9-12(17)15-10)13-7-8-16(5-2)6-3/h9H,4-8H2,1-3H3,(H2,13,14,15,17)
InChIKeyRZLYOIKJCXWZEV-UHFFFAOYSA-N
XLogP2.46
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.46
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

5-amino-6-(dipropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 20085325
N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine
CID 138649007
6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione
CID 82457083
6-[4-(diethylamino)butylamino]-1H-pyrimidine-4-thione
CID 82457096
6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457103
6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione
CID 82457104
6-[2-(diethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457147
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160
2-methyl-6-(4-pyrrolidin-1-ylbutylamino)-1H-pyrimidine-4-thione
CID 82457161
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457166
6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457167

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione (CID 82457210) is 6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NCCN(CC)CC)[nH]1.
What is the InChIKey of 6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione?
The InChIKey is RZLYOIKJCXWZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-10-14-11(9-12(17)15-10)13-7-8-16(5-2)6-3/h9H,4-8H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione?
6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione has a molecular weight of 254.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethylamino]-2-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).