6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine

C17H22N8S — CID 50982944

IUPAC6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine
SMILESCCCSc1ncc(CN2CCN(c3ncnc4nc[nH]c34)CC2)cn1
InChIInChI=1S/C17H22N8S/c1-2-7-26-17-18-8-13(9-19-17)10-24-3-5-25(6-4-24)16-14-15(21-11-20-14)22-12-23-16/h8-9,11-12H,2-7,10H2,1H3,(H,20,21,22,23)
InChIKeyFGYTWPIUSBYKKE-UHFFFAOYSA-N
MW370.49 g/mol
LogP1.97
Rot. Bonds6

About 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine

6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine (PubChem CID 50982944) has the molecular formula C17H22N8S and a molecular weight of 370.49 g/mol. Its IUPAC name is 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine
PubChem CID50982944
Molecular FormulaC17H22N8S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine
SMILESCCCSc1ncc(CN2CCN(c3ncnc4nc[nH]c34)CC2)cn1
InChIInChI=1S/C17H22N8S/c1-2-7-26-17-18-8-13(9-19-17)10-24-3-5-25(6-4-24)16-14-15(21-11-20-14)22-12-23-16/h8-9,11-12H,2-7,10H2,1H3,(H,20,21,22,23)
InChIKeyFGYTWPIUSBYKKE-UHFFFAOYSA-N
XLogP1.97
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-7H-purine
CID 77087305
6-(4-benzyl-1,4-diazepan-1-yl)-7H-purine
CID 44776748
6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine
CID 77092371
4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171334636
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
3-[(2-propylsulfanylpyrimidin-5-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 56883718
5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
CID 43252544
methyl 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoate
CID 78982809
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine
CID 63854249
2-[4-(7H-purin-6-yl)piperazin-1-yl]butanethioamide
CID 63342163

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine?
The IUPAC name of 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine (CID 50982944) is 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine is CCCSc1ncc(CN2CCN(c3ncnc4nc[nH]c34)CC2)cn1.
What is the InChIKey of 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine?
The InChIKey is FGYTWPIUSBYKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8S/c1-2-7-26-17-18-8-13(9-19-17)10-24-3-5-25(6-4-24)16-14-15(21-11-20-14)22-12-23-16/h8-9,11-12H,2-7,10H2,1H3,(H,20,21,22,23).
What are the key properties of 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine?
6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine has a molecular weight of 370.49 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine is sourced from PubChem (CID 50982944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).