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

C10H12N4OS — CID 106477696

IUPAC6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(-c2cnn(C)c2)[nH]1
InChIInChI=1S/C10H12N4OS/c1-14-5-7(4-11-14)10-12-8(6-15-2)3-9(16)13-10/h3-5H,6H2,1-2H3,(H,12,13,16)
InChIKeyROBYLOHECPDLJU-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.69
Rot. Bonds3

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

6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (PubChem CID 106477696) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
PubChem CID106477696
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(-c2cnn(C)c2)[nH]1
InChIInChI=1S/C10H12N4OS/c1-14-5-7(4-11-14)10-12-8(6-15-2)3-9(16)13-10/h3-5H,6H2,1-2H3,(H,12,13,16)
InChIKeyROBYLOHECPDLJU-UHFFFAOYSA-N
XLogP1.69
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
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-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (CID 106477696) is 6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(-c2cnn(C)c2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The InChIKey is ROBYLOHECPDLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-5-7(4-11-14)10-12-8(6-15-2)3-9(16)13-10/h3-5H,6H2,1-2H3,(H,12,13,16).
What are the key properties of 6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione has a molecular weight of 236.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).