6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione

C10H12N4S — CID 17024702

IUPAC6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
SMILESCCn1cc(-c2ccnc(=S)[nH]2)c(C)n1
InChIInChI=1S/C10H12N4S/c1-3-14-6-8(7(2)13-14)9-4-5-11-10(15)12-9/h4-6H,3H2,1-2H3,(H,11,12,15)
InChIKeyMXOMKLHXSZSKTR-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.33
Rot. Bonds2

About 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione

6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione (PubChem CID 17024702) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
PubChem CID17024702
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
SMILESCCn1cc(-c2ccnc(=S)[nH]2)c(C)n1
InChIInChI=1S/C10H12N4S/c1-3-14-6-8(7(2)13-14)9-4-5-11-10(15)12-9/h4-6H,3H2,1-2H3,(H,11,12,15)
InChIKeyMXOMKLHXSZSKTR-UHFFFAOYSA-N
XLogP2.33
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione (CID 17024702) is 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione is CCn1cc(-c2ccnc(=S)[nH]2)c(C)n1.
What is the InChIKey of 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione?
The InChIKey is MXOMKLHXSZSKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-3-14-6-8(7(2)13-14)9-4-5-11-10(15)12-9/h4-6H,3H2,1-2H3,(H,11,12,15).
What are the key properties of 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione?
6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione has a molecular weight of 220.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-3-methylpyrazol-4-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 17024702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).