2-(dimethylamino)-1H-pyrimidine-6-thione

C6H9N3S — CID 64829651

IUPAC2-(dimethylamino)-1H-pyrimidine-6-thione
SMILESCN(C)c1nccc(=S)[nH]1
InChIInChI=1S/C6H9N3S/c1-9(2)6-7-4-3-5(10)8-6/h3-4H,1-2H3,(H,7,8,10)
InChIKeyXESQCAPTCBWTSN-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.21
Rot. Bonds1

About 2-(dimethylamino)-1H-pyrimidine-6-thione

2-(dimethylamino)-1H-pyrimidine-6-thione (PubChem CID 64829651) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 2-(dimethylamino)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(dimethylamino)-1H-pyrimidine-6-thione
PubChem CID64829651
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name2-(dimethylamino)-1H-pyrimidine-6-thione
SMILESCN(C)c1nccc(=S)[nH]1
InChIInChI=1S/C6H9N3S/c1-9(2)6-7-4-3-5(10)8-6/h3-4H,1-2H3,(H,7,8,10)
InChIKeyXESQCAPTCBWTSN-UHFFFAOYSA-N
XLogP1.21
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(dimethylamino)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(dimethylamino)-1H-pyrimidine-6-thione (CID 64829651) is 2-(dimethylamino)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(dimethylamino)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(dimethylamino)-1H-pyrimidine-6-thione is CN(C)c1nccc(=S)[nH]1.
What is the InChIKey of 2-(dimethylamino)-1H-pyrimidine-6-thione?
The InChIKey is XESQCAPTCBWTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-9(2)6-7-4-3-5(10)8-6/h3-4H,1-2H3,(H,7,8,10).
What are the key properties of 2-(dimethylamino)-1H-pyrimidine-6-thione?
2-(dimethylamino)-1H-pyrimidine-6-thione has a molecular weight of 155.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1H-pyrimidine-6-thione is sourced from PubChem (CID 64829651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).