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

C8H14N4S — CID 82457104

IUPAC6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione
SMILESCN(C)CCNc1cc(=S)nc[nH]1
InChIInChI=1S/C8H14N4S/c1-12(2)4-3-9-7-5-8(13)11-6-10-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyFJKBJKGXFQWJQM-UHFFFAOYSA-N
MW198.30 g/mol
LogP1.11
Rot. Bonds4

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

6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione (PubChem CID 82457104) has the molecular formula C8H14N4S and a molecular weight of 198.30 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione
PubChem CID82457104
Molecular FormulaC8H14N4S
Molecular Weight198.30 g/mol
Exact Mass198.09
IUPAC Name6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione
SMILESCN(C)CCNc1cc(=S)nc[nH]1
InChIInChI=1S/C8H14N4S/c1-12(2)4-3-9-7-5-8(13)11-6-10-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyFJKBJKGXFQWJQM-UHFFFAOYSA-N
XLogP1.11
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.30
LogP ≤ 51.11
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-(propylamino)-1H-pyrimidine-4-thione
CID 3720756
6-(Dimethylamino)-4(3H)-pyrimidinethione
CID 119088143
2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
2,6-bis(dimethylamino)-1H-pyrimidine-4-thione
CID 67810057
N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 141139039
2-Amino-6-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
4-Pyrimidinethiol,6-(4-methyl-1-piperazinyl)-
CID 33697854
6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457077
6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457078
6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione
CID 82457083
6-(butylamino)-1H-pyrimidine-4-thione
CID 82457087
6-[4-(diethylamino)butylamino]-1H-pyrimidine-4-thione
CID 82457096

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione (CID 82457104) is 6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione is CN(C)CCNc1cc(=S)nc[nH]1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione?
The InChIKey is FJKBJKGXFQWJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-12(2)4-3-9-7-5-8(13)11-6-10-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione?
6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione has a molecular weight of 198.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).