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

C11H14N4OS — CID 106515828

IUPAC2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)cc(-c2cnn(C)c2)[nH]1
InChIInChI=1S/C11H14N4OS/c1-3-16-7-10-13-9(4-11(17)14-10)8-5-12-15(2)6-8/h4-6H,3,7H2,1-2H3,(H,13,14,17)
InChIKeyGJDHKVBTGTUSQK-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.08
Rot. Bonds4

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

2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (PubChem CID 106515828) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
PubChem CID106515828
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)cc(-c2cnn(C)c2)[nH]1
InChIInChI=1S/C11H14N4OS/c1-3-16-7-10-13-9(4-11(17)14-10)8-5-12-15(2)6-8/h4-6H,3,7H2,1-2H3,(H,13,14,17)
InChIKeyGJDHKVBTGTUSQK-UHFFFAOYSA-N
XLogP2.08
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(6-Imino-1-methyl-5-propan-2-yloxypyrimidin-4-yl)pyrazol-1-yl]ethyl hypofluorite
CID 178164122
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-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106716308
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-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 113868904
6-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 113875991
4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136771654
1-[1-(2-Methoxyethyl)pyrazol-4-yl]-3-methyliminoprop-1-en-1-amine
CID 153671933
6-(methoxymethyl)-2-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106477696

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (CID 106515828) is 2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is CCOCc1nc(=S)cc(-c2cnn(C)c2)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The InChIKey is GJDHKVBTGTUSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-16-7-10-13-9(4-11(17)14-10)8-5-12-15(2)6-8/h4-6H,3,7H2,1-2H3,(H,13,14,17).
What are the key properties of 2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione has a molecular weight of 250.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).