6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione

C11H14N4S — CID 106515890

IUPAC6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1c(-c2cnn(C)c2)[nH]cnc1=S
InChIInChI=1S/C11H14N4S/c1-7(2)9-10(12-6-13-11(9)16)8-4-14-15(3)5-8/h4-7H,1-3H3,(H,12,13,16)
InChIKeyRZZZQQWNCUZLLP-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.66
Rot. Bonds2

About 6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione

6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106515890) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106515890
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1c(-c2cnn(C)c2)[nH]cnc1=S
InChIInChI=1S/C11H14N4S/c1-7(2)9-10(12-6-13-11(9)16)8-4-14-15(3)5-8/h4-7H,1-3H3,(H,12,13,16)
InChIKeyRZZZQQWNCUZLLP-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

5-propan-2-yl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106518441
5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione
CID 106515837
CID 58148330
CID 58148330
5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692282
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
CID 121383013
4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole
CID 166088674
3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole
CID 121383038
1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole
CID 165115873
2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one
CID 165451138
7-(1-methylpyrazol-4-yl)-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one
CID 123725375

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106515890) is 6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1c(-c2cnn(C)c2)[nH]cnc1=S.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is RZZZQQWNCUZLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-7(2)9-10(12-6-13-11(9)16)8-4-14-15(3)5-8/h4-7H,1-3H3,(H,12,13,16).
What are the key properties of 6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
6-(1-methylpyrazol-4-yl)-5-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)-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).