6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione

C9H10N4S — CID 106515951

IUPAC6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCCn1cc(-c2cc(=S)nc[nH]2)cn1
InChIInChI=1S/C9H10N4S/c1-2-13-5-7(4-12-13)8-3-9(14)11-6-10-8/h3-6H,2H2,1H3,(H,10,11,14)
InChIKeyVXQZXTHCNWUNJT-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.02
Rot. Bonds2

About 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione

6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione (PubChem CID 106515951) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione
PubChem CID106515951
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCCn1cc(-c2cc(=S)nc[nH]2)cn1
InChIInChI=1S/C9H10N4S/c1-2-13-5-7(4-12-13)8-3-9(14)11-6-10-8/h3-6H,2H2,1H3,(H,10,11,14)
InChIKeyVXQZXTHCNWUNJT-UHFFFAOYSA-N
XLogP2.02
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.02
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

7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine
CID 151820760
6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106515845
5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
CID 106515856
6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione
CID 106515924
6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106515979
5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione
CID 106515990
6-(1-methylpyrazol-4-yl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106716261
2-[2-(2,2-difluoroethoxy)ethyl]-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716292
6-(1-methylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106716390
6-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776744
6-(1-propylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776751
6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 113844140

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione (CID 106515951) is 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione is CCn1cc(-c2cc(=S)nc[nH]2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The InChIKey is VXQZXTHCNWUNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-2-13-5-7(4-12-13)8-3-9(14)11-6-10-8/h3-6H,2H2,1H3,(H,10,11,14).
What are the key properties of 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione?
6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione has a molecular weight of 206.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).