4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine

C9H9N5S — CID 2782095

IUPAC4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccncc2)n1
InChIInChI=1S/C9H9N5S/c1-15-9-13-7(12-8(10)14-9)6-2-4-11-5-3-6/h2-5H,1H3,(H2,10,12,13,14)
InChIKeyWGDAEWQPJSGFPO-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.24
Rot. Bonds2

About 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine

4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine (PubChem CID 2782095) has the molecular formula C9H9N5S and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine
PubChem CID2782095
Molecular FormulaC9H9N5S
Molecular Weight219.27 g/mol
Exact Mass219.06
IUPAC Name4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccncc2)n1
InChIInChI=1S/C9H9N5S/c1-15-9-13-7(12-8(10)14-9)6-2-4-11-5-3-6/h2-5H,1H3,(H2,10,12,13,14)
InChIKeyWGDAEWQPJSGFPO-UHFFFAOYSA-N
XLogP1.24
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
Tasuldine
CID 65666
Mls000737238
CID 266151
3,5-Dipyridin-3-yl-1,2,4-thiadiazole
CID 10538018
s-Triazine, 2-amino-4-piperidino-6-(3-pyridyl)-
CID 207459
2-(Pyridin-3-yl)pyrimidine
CID 13349629
2,4,6-Tris(4-pyridyl)-1,3,5-triazine
CID 317666
1,3,5-Triazine-2,4-diamine, N,N-dimethyl-6-(3-pyridinyl)-
CID 740942
4-n-Butylamino-2-methylthiopyrido(2,3-d)pyrimidine
CID 175082
11-Ethyldipyrido[2,3-b:3',2'-f]azepine
CID 470619
N,N'-Bis(3-methyl-2-pyridinyl)thiourea
CID 3003755

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine (CID 2782095) is 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2ccncc2)n1.
What is the InChIKey of 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is WGDAEWQPJSGFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5S/c1-15-9-13-7(12-8(10)14-9)6-2-4-11-5-3-6/h2-5H,1H3,(H2,10,12,13,14).
What are the key properties of 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 219.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2782095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).