6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine

C17H22N8S — CID 163344430

IUPAC6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine
SMILESCSc1nc(C)c(C)c(N2CCN(c3ncnc4ncn(C)c34)CC2)n1
InChIInChI=1S/C17H22N8S/c1-11-12(2)21-17(26-4)22-15(11)24-5-7-25(8-6-24)16-13-14(18-9-19-16)20-10-23(13)3/h9-10H,5-8H2,1-4H3
InChIKeyOUYKGLOGEBAHGK-UHFFFAOYSA-N
MW370.49 g/mol
LogP1.82
Rot. Bonds3

About 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine

6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine (PubChem CID 163344430) has the molecular formula C17H22N8S and a molecular weight of 370.49 g/mol. Its IUPAC name is 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine.

Molecular Properties

Compound Name6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine
PubChem CID163344430
Molecular FormulaC17H22N8S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine
SMILESCSc1nc(C)c(C)c(N2CCN(c3ncnc4ncn(C)c34)CC2)n1
InChIInChI=1S/C17H22N8S/c1-11-12(2)21-17(26-4)22-15(11)24-5-7-25(8-6-24)16-13-14(18-9-19-16)20-10-23(13)3/h9-10H,5-8H2,1-4H3
InChIKeyOUYKGLOGEBAHGK-UHFFFAOYSA-N
XLogP1.82
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine?
The IUPAC name of 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine (CID 163344430) is 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine.
What is the SMILES notation for 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine?
The canonical SMILES for 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine is CSc1nc(C)c(C)c(N2CCN(c3ncnc4ncn(C)c34)CC2)n1.
What is the InChIKey of 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine?
The InChIKey is OUYKGLOGEBAHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8S/c1-11-12(2)21-17(26-4)22-15(11)24-5-7-25(8-6-24)16-13-14(18-9-19-16)20-10-23(13)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine?
6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine has a molecular weight of 370.49 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine is sourced from PubChem (CID 163344430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).