2,6-bis(dimethylamino)-1H-pyrimidine-4-thione

C8H14N4S — CID 67810057

IUPAC2,6-bis(dimethylamino)-1H-pyrimidine-4-thione
SMILESCN(C)c1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C8H14N4S/c1-11(2)6-5-7(13)10-8(9-6)12(3)4/h5H,1-4H3,(H,9,10,13)
InChIKeyWAEZAQVLEUTUAW-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.27
Rot. Bonds2

About 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione

2,6-bis(dimethylamino)-1H-pyrimidine-4-thione (PubChem CID 67810057) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2,6-bis(dimethylamino)-1H-pyrimidine-4-thione
PubChem CID67810057
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2,6-bis(dimethylamino)-1H-pyrimidine-4-thione
SMILESCN(C)c1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C8H14N4S/c1-11(2)6-5-7(13)10-8(9-6)12(3)4/h5H,1-4H3,(H,9,10,13)
InChIKeyWAEZAQVLEUTUAW-UHFFFAOYSA-N
XLogP1.27
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione (CID 67810057) is 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione is CN(C)c1cc(=S)nc(N(C)C)[nH]1.
What is the InChIKey of 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione?
The InChIKey is WAEZAQVLEUTUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-11(2)6-5-7(13)10-8(9-6)12(3)4/h5H,1-4H3,(H,9,10,13).
What are the key properties of 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione?
2,6-bis(dimethylamino)-1H-pyrimidine-4-thione has a molecular weight of 198.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(dimethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 67810057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).