6-piperidin-4-ylsulfanyl-7H-purine

C10H13N5S — CID 62255046

IUPAC6-piperidin-4-ylsulfanyl-7H-purine
SMILESc1nc(SC2CCNCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5S/c1-3-11-4-2-7(1)16-10-8-9(13-5-12-8)14-6-15-10/h5-7,11H,1-4H2,(H,12,13,14,15)
InChIKeySPSRXDIAHZNSOA-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.20
Rot. Bonds2

About 6-piperidin-4-ylsulfanyl-7H-purine

6-piperidin-4-ylsulfanyl-7H-purine (PubChem CID 62255046) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 6-piperidin-4-ylsulfanyl-7H-purine.

Molecular Properties

Compound Name6-piperidin-4-ylsulfanyl-7H-purine
PubChem CID62255046
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name6-piperidin-4-ylsulfanyl-7H-purine
SMILESc1nc(SC2CCNCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5S/c1-3-11-4-2-7(1)16-10-8-9(13-5-12-8)14-6-15-10/h5-7,11H,1-4H2,(H,12,13,14,15)
InChIKeySPSRXDIAHZNSOA-UHFFFAOYSA-N
XLogP1.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7H-purin-6-ylsulfanyl)cyclohexane-1-carbonitrile
CID 62253236
1-(methylamino)-3-(7H-purin-6-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79653954
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
2-(7H-purin-6-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 63098084
6-pyrrolidin-3-yl-7H-purine
CID 82404474
N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine
CID 64633862
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
8-(7H-purin-6-ylsulfanyl)-3,7,8,9-tetrahydropurine-2-thione
CID 91596176
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
CID 140997133
1-piperazin-1-yl-3-(7H-purin-6-ylsulfanyl)propan-1-one
CID 62544731
1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 104755514
2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
CID 79359571

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-ylsulfanyl-7H-purine?
The IUPAC name of 6-piperidin-4-ylsulfanyl-7H-purine (CID 62255046) is 6-piperidin-4-ylsulfanyl-7H-purine.
What is the SMILES notation for 6-piperidin-4-ylsulfanyl-7H-purine?
The canonical SMILES for 6-piperidin-4-ylsulfanyl-7H-purine is c1nc(SC2CCNCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-piperidin-4-ylsulfanyl-7H-purine?
The InChIKey is SPSRXDIAHZNSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-3-11-4-2-7(1)16-10-8-9(13-5-12-8)14-6-15-10/h5-7,11H,1-4H2,(H,12,13,14,15).
What are the key properties of 6-piperidin-4-ylsulfanyl-7H-purine?
6-piperidin-4-ylsulfanyl-7H-purine has a molecular weight of 235.32 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-ylsulfanyl-7H-purine is sourced from PubChem (CID 62255046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).