6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione

C11H10N4S — CID 136815031

IUPAC6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione
SMILESCc1[nH]c(=S)ncc1/N=N/c1ccccc1
InChIInChI=1S/C11H10N4S/c1-8-10(7-12-11(16)13-8)15-14-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,16)/b15-14+
InChIKeyYRYMSDJMYWFYHB-CCEZHUSRSA-N
MW230.30 g/mol
LogP3.86
Rot. Bonds2

About 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione

6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione (PubChem CID 136815031) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione
PubChem CID136815031
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione
SMILESCc1[nH]c(=S)ncc1/N=N/c1ccccc1
InChIInChI=1S/C11H10N4S/c1-8-10(7-12-11(16)13-8)15-14-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,16)/b15-14+
InChIKeyYRYMSDJMYWFYHB-CCEZHUSRSA-N
XLogP3.86
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-3-pyridinyl)-phenyldiazene
CID 121008479
(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene
CID 101149623
diphenyldiazene;hydrofluoride
CID 174857584
(3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene
CID 174472675
6-methyl-5-phenyl-1H-pyrazine-2-thione
CID 20978320
4-phenyldiazenylpyridine-2,3-diamine;hydrochloride
CID 57365046
bis(diphenyldiazene);uranium;vanadium
CID 158886927
ethane;(2-methylphenyl)-phenyldiazene;propane
CID 143988882
palladium(2+);bis(2-phenyldiazenylphenolate)
CID 171041085
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
(5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene
CID 135733604
(8-methylquinolin-5-yl)-phenyldiazene
CID 58482903

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione?
The IUPAC name of 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione (CID 136815031) is 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione?
The canonical SMILES for 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione is Cc1[nH]c(=S)ncc1/N=N/c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione?
The InChIKey is YRYMSDJMYWFYHB-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H10N4S/c1-8-10(7-12-11(16)13-8)15-14-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,16)/b15-14+.
What are the key properties of 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione?
6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione has a molecular weight of 230.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 136815031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).