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

C8H9N5S — CID 67989264

IUPAC6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCn1ncc(-c2cc(=S)nc[nH]2)c1N
InChIInChI=1S/C8H9N5S/c1-13-8(9)5(3-12-13)6-2-7(14)11-4-10-6/h2-4H,9H2,1H3,(H,10,11,14)
InChIKeyUZFCRHRMJVLPTL-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.12
Rot. Bonds1

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

6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (PubChem CID 67989264) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
PubChem CID67989264
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCn1ncc(-c2cc(=S)nc[nH]2)c1N
InChIInChI=1S/C8H9N5S/c1-13-8(9)5(3-12-13)6-2-7(14)11-4-10-6/h2-4H,9H2,1H3,(H,10,11,14)
InChIKeyUZFCRHRMJVLPTL-UHFFFAOYSA-N
XLogP1.12
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (CID 67989264) is 6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is Cn1ncc(-c2cc(=S)nc[nH]2)c1N.
What is the InChIKey of 6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The InChIKey is UZFCRHRMJVLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-13-8(9)5(3-12-13)6-2-7(14)11-4-10-6/h2-4H,9H2,1H3,(H,10,11,14).
What are the key properties of 6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione has a molecular weight of 207.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 67989264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).