5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione

C8H8N4S — CID 106515837

IUPAC5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione
SMILESCn1cc(-c2cnc[nH]c2=S)cn1
InChIInChI=1S/C8H8N4S/c1-12-4-6(2-11-12)7-3-9-5-10-8(7)13/h2-5H,1H3,(H,9,10,13)
InChIKeyBLXDEHMYLVQELR-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.54
Rot. Bonds1

About 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione

5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione (PubChem CID 106515837) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione
PubChem CID106515837
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione
SMILESCn1cc(-c2cnc[nH]c2=S)cn1
InChIInChI=1S/C8H8N4S/c1-12-4-6(2-11-12)7-3-9-5-10-8(7)13/h2-5H,1H3,(H,9,10,13)
InChIKeyBLXDEHMYLVQELR-UHFFFAOYSA-N
XLogP1.54
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine
CID 105370998
4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole
CID 144831547
6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106515890
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
2-deuterio-4-(1-methylpyrazol-4-yl)pyridine
CID 175847342
5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692282
8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
CID 121389456
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
[5-(1-methylpyrazol-4-yl)pyridazin-4-yl]methanamine
CID 82404489
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione (CID 106515837) is 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione is Cn1cc(-c2cnc[nH]c2=S)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione?
The InChIKey is BLXDEHMYLVQELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-12-4-6(2-11-12)7-3-9-5-10-8(7)13/h2-5H,1H3,(H,9,10,13).
What are the key properties of 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione?
5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione has a molecular weight of 192.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106515837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).