2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione

C11H13N5S — CID 102439735

IUPAC2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione
SMILESCN(C)c1nc(=S)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C11H13N5S/c1-16(2)10-13-9(14-11(17)15-10)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,13,14,15,17)
InChIKeyRMJGGBBLFNMJTL-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.34
Rot. Bonds3

About 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione

2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione (PubChem CID 102439735) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione
PubChem CID102439735
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione
SMILESCN(C)c1nc(=S)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C11H13N5S/c1-16(2)10-13-9(14-11(17)15-10)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,13,14,15,17)
InChIKeyRMJGGBBLFNMJTL-UHFFFAOYSA-N
XLogP2.34
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione
CID 146408285
6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione
CID 57053866
sodium 6-(dimethylamino)-4-sulfanylidene-1H-1,3,5-triazine-2-thiolate
CID 119079291
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine
CID 13199460
5-methoxy-N-phenyl-1H-imidazo[4,5-b]pyridin-2-amine
CID 141189251
2-anilino-4-tert-butyl-5-iodo-1H-pyrimidin-6-one
CID 136773780
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205
2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one
CID 136951885
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136778987
4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one
CID 136951883
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135645206

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione (CID 102439735) is 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione is CN(C)c1nc(=S)nc(Nc2ccccc2)[nH]1.
What is the InChIKey of 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione?
The InChIKey is RMJGGBBLFNMJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-16(2)10-13-9(14-11(17)15-10)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,13,14,15,17).
What are the key properties of 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione?
2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione has a molecular weight of 247.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 102439735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).