4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

C19H24N8S — CID 165433739

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCSc1nccc(N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)n1
InChIInChI=1S/C19H24N8S/c1-13-11-14(2)27(24-13)18-12-17(21-15(3)22-18)26-9-7-25(8-10-26)16-5-6-20-19(23-16)28-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyMRAMNOQPVJGXMJ-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.43
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 165433739) has the molecular formula C19H24N8S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID165433739
Molecular FormulaC19H24N8S
Molecular Weight396.52 g/mol
Exact Mass396.18
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCSc1nccc(N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)n1
InChIInChI=1S/C19H24N8S/c1-13-11-14(2)27(24-13)18-12-17(21-15(3)22-18)26-9-7-25(8-10-26)16-5-6-20-19(23-16)28-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyMRAMNOQPVJGXMJ-UHFFFAOYSA-N
XLogP2.43
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 154853730
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830060
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155976481
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 171323834
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122338082
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122338036
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 155976417
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122338134
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80853237
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 165433739) is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is CSc1nccc(N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is MRAMNOQPVJGXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8S/c1-13-11-14(2)27(24-13)18-12-17(21-15(3)22-18)26-9-7-25(8-10-26)16-5-6-20-19(23-16)28-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 396.52 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 165433739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).