5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione

C10H12N4S — CID 106476615

IUPAC5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2ccn(C)n2)nc(=S)c1C
InChIInChI=1S/C10H12N4S/c1-6-7(2)11-9(12-10(6)15)8-4-5-14(3)13-8/h4-5H,1-3H3,(H,11,12,15)
InChIKeyARKMOIAOUXWDEW-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.16
Rot. Bonds1

About 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione

5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106476615) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
PubChem CID106476615
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2ccn(C)n2)nc(=S)c1C
InChIInChI=1S/C10H12N4S/c1-6-7(2)11-9(12-10(6)15)8-4-5-14(3)13-8/h4-5H,1-3H3,(H,11,12,15)
InChIKeyARKMOIAOUXWDEW-UHFFFAOYSA-N
XLogP2.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
CID 106476853
2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione
CID 103123802
2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477114
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione
CID 106476625
6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
CID 106477617
2-(5-bromothiophen-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476810
5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidine-4-thione
CID 106476719
lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate
CID 170974124
8-(1-methylpyrazol-3-yl)-3,7-dihydropurine-2,6-dione
CID 136980722
2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine
CID 136785799
2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106794205
5-methoxy-2-(1-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole
CID 142626049

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione (CID 106476615) is 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(-c2ccn(C)n2)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is ARKMOIAOUXWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-6-7(2)11-9(12-10(6)15)8-4-5-14(3)13-8/h4-5H,1-3H3,(H,11,12,15).
What are the key properties of 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 220.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).