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

C10H18N4S — CID 82457083

IUPAC6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione
SMILESCCN(CC)CCNc1cc(=S)nc[nH]1
InChIInChI=1S/C10H18N4S/c1-3-14(4-2)6-5-11-9-7-10(15)13-8-12-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyGRWQMCAHGSCEFC-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.89
Rot. Bonds6

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

6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione (PubChem CID 82457083) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione
PubChem CID82457083
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione
SMILESCCN(CC)CCNc1cc(=S)nc[nH]1
InChIInChI=1S/C10H18N4S/c1-3-14(4-2)6-5-11-9-7-10(15)13-8-12-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyGRWQMCAHGSCEFC-UHFFFAOYSA-N
XLogP1.89
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.89
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

2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide
CID 118973132
N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 141139039
4-Pyrimidinethiol,6-(4-methyl-1-piperazinyl)-
CID 33697854
6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457077
6-[4-(diethylamino)butylamino]-1H-pyrimidine-4-thione
CID 82457096
6-(4-pyrrolidin-1-ylbutylamino)-1H-pyrimidine-4-thione
CID 82457097
6-[3-(dimethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457102
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-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione?
The IUPAC name of 6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione (CID 82457083) is 6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione is CCN(CC)CCNc1cc(=S)nc[nH]1.
What is the InChIKey of 6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione?
The InChIKey is GRWQMCAHGSCEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-14(4-2)6-5-11-9-7-10(15)13-8-12-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione?
6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione has a molecular weight of 226.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).