5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione

C10H9N3S — CID 106513798

IUPAC5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
SMILESCc1c(-c2cccnc2)[nH]cnc1=S
InChIInChI=1S/C10H9N3S/c1-7-9(12-6-13-10(7)14)8-3-2-4-11-5-8/h2-6H,1H3,(H,12,13,14)
InChIKeyLBGXZDMUEOXACD-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.51
Rot. Bonds1

About 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione

5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione (PubChem CID 106513798) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
PubChem CID106513798
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
SMILESCc1c(-c2cccnc2)[nH]cnc1=S
InChIInChI=1S/C10H9N3S/c1-7-9(12-6-13-10(7)14)8-3-2-4-11-5-8/h2-6H,1H3,(H,12,13,14)
InChIKeyLBGXZDMUEOXACD-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.51
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

5-propan-2-yl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106513819
5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
CID 106519751
3-(5-ethyl-1H-imidazol-4-yl)pyridine
CID 45120975
ethane;3-(4-hexylsulfanyl-1H-imidazol-5-yl)pyridine
CID 145497616
3-pyridin-3-yl-1H-pyrazine-2-thione
CID 106513816
2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate
CID 162328414
6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106520005
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-(4-fluorophenyl)-4-methyl-5-pyridin-3-yl-1H-pyrazol-3-one
CID 54108542
2-methyl-4-pyridin-3-yl-1,3-oxazole
CID 19018561
3-(1H-imidazol-5-yl)pyridine;hydrochloride
CID 67500499
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione (CID 106513798) is 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione is Cc1c(-c2cccnc2)[nH]cnc1=S.
What is the InChIKey of 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione?
The InChIKey is LBGXZDMUEOXACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-7-9(12-6-13-10(7)14)8-3-2-4-11-5-8/h2-6H,1H3,(H,12,13,14).
What are the key properties of 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione?
5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione has a molecular weight of 203.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106513798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).