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

C11H14N4S — CID 106515834

IUPAC6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(-c2cnn(C)c2)[nH]1
InChIInChI=1S/C11H14N4S/c1-7(2)11-13-9(4-10(16)14-11)8-5-12-15(3)6-8/h4-7H,1-3H3,(H,13,14,16)
InChIKeyOCEGMKDRJTUFDN-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.66
Rot. Bonds2

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

6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106515834) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106515834
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(-c2cnn(C)c2)[nH]1
InChIInChI=1S/C11H14N4S/c1-7(2)11-13-9(4-10(16)14-11)8-5-12-15(3)6-8/h4-7H,1-3H3,(H,13,14,16)
InChIKeyOCEGMKDRJTUFDN-UHFFFAOYSA-N
XLogP2.66
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine
CID 151820760
6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106515845
6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106515979
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-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 113844140
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

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione (CID 106515834) is 6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1nc(=S)cc(-c2cnn(C)c2)[nH]1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is OCEGMKDRJTUFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-7(2)11-13-9(4-10(16)14-11)8-5-12-15(3)6-8/h4-7H,1-3H3,(H,13,14,16).
What are the key properties of 6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione?
6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 234.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).