2-(dimethylamino)-3-methylpyrimidine-4-thione

C7H11N3S — CID 45118483

IUPAC2-(dimethylamino)-3-methylpyrimidine-4-thione
SMILESCN(C)c1nccc(=S)n1C
InChIInChI=1S/C7H11N3S/c1-9(2)7-8-5-4-6(11)10(7)3/h4-5H,1-3H3
InChIKeyKMXKJDVIHKFCAZ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.22
Rot. Bonds1

About 2-(dimethylamino)-3-methylpyrimidine-4-thione

2-(dimethylamino)-3-methylpyrimidine-4-thione (PubChem CID 45118483) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methylpyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-3-methylpyrimidine-4-thione
PubChem CID45118483
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-(dimethylamino)-3-methylpyrimidine-4-thione
SMILESCN(C)c1nccc(=S)n1C
InChIInChI=1S/C7H11N3S/c1-9(2)7-8-5-4-6(11)10(7)3/h4-5H,1-3H3
InChIKeyKMXKJDVIHKFCAZ-UHFFFAOYSA-N
XLogP1.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
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-(dimethylamino)-3-methylpyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-3-methylpyrimidine-4-thione (CID 45118483) is 2-(dimethylamino)-3-methylpyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-3-methylpyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-3-methylpyrimidine-4-thione is CN(C)c1nccc(=S)n1C.
What is the InChIKey of 2-(dimethylamino)-3-methylpyrimidine-4-thione?
The InChIKey is KMXKJDVIHKFCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-9(2)7-8-5-4-6(11)10(7)3/h4-5H,1-3H3.
What are the key properties of 2-(dimethylamino)-3-methylpyrimidine-4-thione?
2-(dimethylamino)-3-methylpyrimidine-4-thione has a molecular weight of 169.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methylpyrimidine-4-thione is sourced from PubChem (CID 45118483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).