2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione

C7H11N3S — CID 21488478

IUPAC2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C7H11N3S/c1-5-4-6(11)9-7(8-5)10(2)3/h4H,1-3H3,(H,8,9,11)
InChIKeyNOHDIBROJJIOMQ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.51
Rot. Bonds1

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

2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 21488478) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
PubChem CID21488478
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C7H11N3S/c1-5-4-6(11)9-7(8-5)10(2)3/h4H,1-3H3,(H,8,9,11)
InChIKeyNOHDIBROJJIOMQ-UHFFFAOYSA-N
XLogP1.51
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-3,4-dihydropyrimidine-4-thione
CID 4557596
2-Amino-6-methylpyrimidine-4-thiol
CID 2781477
2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 83399520
ethane;6-methyl-1H-pyrimidine-4-thione
CID 145330357
6-methyl-2-(methylamino)-1H-pyrimidine-4-thione
CID 17606465
6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 33701702
2-(dimethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475070
2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475326
2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106475698
2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106476081
2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476604

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione (CID 21488478) is 2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(N(C)C)[nH]1.
What is the InChIKey of 2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is NOHDIBROJJIOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-5-4-6(11)9-7(8-5)10(2)3/h4H,1-3H3,(H,8,9,11).
What are the key properties of 2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione?
2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 169.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 21488478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).