9-[(3S)-piperidin-3-yl]purin-6-amine

C10H14N6 — CID 51050700

IUPAC9-[(3S)-piperidin-3-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CCCNC1
InChIInChI=1S/C10H14N6/c11-9-8-10(14-5-13-9)16(6-15-8)7-2-1-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14)/t7-/m0/s1
InChIKeyBEMAJBTVSLXFLA-ZETCQYMHSA-N
MW218.26 g/mol
LogP0.33
Rot. Bonds1

About 9-[(3S)-piperidin-3-yl]purin-6-amine

9-[(3S)-piperidin-3-yl]purin-6-amine (PubChem CID 51050700) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 9-[(3S)-piperidin-3-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(3S)-piperidin-3-yl]purin-6-amine
PubChem CID51050700
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name9-[(3S)-piperidin-3-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CCCNC1
InChIInChI=1S/C10H14N6/c11-9-8-10(14-5-13-9)16(6-15-8)7-2-1-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14)/t7-/m0/s1
InChIKeyBEMAJBTVSLXFLA-ZETCQYMHSA-N
XLogP0.33
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 126509833
9-(3,3-diphosphorosocyclopentyl)purin-6-amine
CID 57063873
2-N-(4-phenoxyphenyl)-9-piperidin-3-ylpurine-2,6-diamine
CID 123712291
[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium
CID 173294631
9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine
CID 57328036
9-cyclopent-2-en-1-ylpurin-6-amine
CID 15673657
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine
CID 67517127
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
7-naphthalen-2-yl-3-[(3R)-piperidin-3-yl]imidazo[4,5-b]pyridine
CID 57462542
3-(6-methoxy-3-pyridinyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71514262

Frequently Asked Questions

What is the IUPAC name of 9-[(3S)-piperidin-3-yl]purin-6-amine?
The IUPAC name of 9-[(3S)-piperidin-3-yl]purin-6-amine (CID 51050700) is 9-[(3S)-piperidin-3-yl]purin-6-amine.
What is the SMILES notation for 9-[(3S)-piperidin-3-yl]purin-6-amine?
The canonical SMILES for 9-[(3S)-piperidin-3-yl]purin-6-amine is Nc1ncnc2c1ncn2[C@H]1CCCNC1.
What is the InChIKey of 9-[(3S)-piperidin-3-yl]purin-6-amine?
The InChIKey is BEMAJBTVSLXFLA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N6/c11-9-8-10(14-5-13-9)16(6-15-8)7-2-1-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14)/t7-/m0/s1.
What are the key properties of 9-[(3S)-piperidin-3-yl]purin-6-amine?
9-[(3S)-piperidin-3-yl]purin-6-amine has a molecular weight of 218.26 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3S)-piperidin-3-yl]purin-6-amine is sourced from PubChem (CID 51050700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).