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

C15H20N4S — CID 106716367

IUPAC2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCC1CCCC(c2nc(=S)cc(-c3cnn(C)c3)[nH]2)C1
InChIInChI=1S/C15H20N4S/c1-10-4-3-5-11(6-10)15-17-13(7-14(20)18-15)12-8-16-19(2)9-12/h7-11H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyHBQCVKQOEKPRAN-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.83
Rot. Bonds2

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

2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (PubChem CID 106716367) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
PubChem CID106716367
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCC1CCCC(c2nc(=S)cc(-c3cnn(C)c3)[nH]2)C1
InChIInChI=1S/C15H20N4S/c1-10-4-3-5-11(6-10)15-17-13(7-14(20)18-15)12-8-16-19(2)9-12/h7-11H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyHBQCVKQOEKPRAN-UHFFFAOYSA-N
XLogP3.83
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.83
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 2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (CID 106716367) is 2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is CC1CCCC(c2nc(=S)cc(-c3cnn(C)c3)[nH]2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The InChIKey is HBQCVKQOEKPRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10-4-3-5-11(6-10)15-17-13(7-14(20)18-15)12-8-16-19(2)9-12/h7-11H,3-6H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione has a molecular weight of 288.42 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106716367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).