4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine

C18H24N8S — CID 154829125

IUPAC4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCCc1cc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)nc(SC)n1
InChIInChI=1S/C18H24N8S/c1-5-13-10-15(23-18(22-13)27-4)25-6-8-26(9-7-25)17-14-11-19-24(3)16(14)20-12(2)21-17/h10-11H,5-9H2,1-4H3
InChIKeyBEPQNZOXEVBTOA-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.07
Rot. Bonds4

About 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine

4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 154829125) has the molecular formula C18H24N8S and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID154829125
Molecular FormulaC18H24N8S
Molecular Weight384.51 g/mol
Exact Mass384.18
IUPAC Name4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCCc1cc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)nc(SC)n1
InChIInChI=1S/C18H24N8S/c1-5-13-10-15(23-18(22-13)27-4)25-6-8-26(9-7-25)17-14-11-19-24(3)16(14)20-12(2)21-17/h10-11H,5-9H2,1-4H3
InChIKeyBEPQNZOXEVBTOA-UHFFFAOYSA-N
XLogP2.07
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70709083
5-Ethyl-7-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 70719942
5-Ethyl-2,3-dimethyl-7-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 70721704
2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)octahydro-2H-pyrido[1,2-a]pyrazine
CID 70729325
1-methyl-6-propyl-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 70730566
5-ethyl-N,2,3-trimethyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70762143
7-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 72144399
N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 118739975
N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 118740003
3-[(2-Pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
CID 118740007
4-[4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine
CID 1034859
N,1,3-trimethyl-6-(2-pyridinyl)-N-[2-(2-pyridinyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70726806

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (CID 154829125) is 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is CCc1cc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)nc(SC)n1.
What is the InChIKey of 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is BEPQNZOXEVBTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8S/c1-5-13-10-15(23-18(22-13)27-4)25-6-8-26(9-7-25)17-14-11-19-24(3)16(14)20-12(2)21-17/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 384.51 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 154829125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).