9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine

C16H20N8 — CID 175788389

IUPAC9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1ccncc1N1CCCC(N)C1
InChIInChI=1S/C16H20N8/c17-12-2-1-5-23(8-12)13-6-19-4-3-11(13)7-24-10-22-14-15(18)20-9-21-16(14)24/h3-4,6,9-10,12H,1-2,5,7-8,17H2,(H2,18,20,21)
InChIKeyXHIUOCCBLLAHIT-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.78
Rot. Bonds3

About 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine

9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine (PubChem CID 175788389) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine
PubChem CID175788389
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1ccncc1N1CCCC(N)C1
InChIInChI=1S/C16H20N8/c17-12-2-1-5-23(8-12)13-6-19-4-3-11(13)7-24-10-22-14-15(18)20-9-21-16(14)24/h3-4,6,9-10,12H,1-2,5,7-8,17H2,(H2,18,20,21)
InChIKeyXHIUOCCBLLAHIT-UHFFFAOYSA-N
XLogP0.78
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

9-[[6-(3-aminopyrrolidin-1-yl)-1-benzofuran-7-yl]methyl]purin-6-amine
CID 156707224
9-[[6-(3-aminopyrrolidin-1-yl)-3-fluoro-2-(trifluoromethyl)phenyl]methyl]purin-6-amine;benzene
CID 156707193
9-[[6-(3-aminopyrrolidin-1-yl)-3-chloro-2-ethylphenyl]methyl]purin-6-amine;cyclopropanamine;formaldehyde
CID 156707213
3-(3-aminopiperidin-1-yl)-N-methylpyridin-4-amine
CID 145468600
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026
9-[[5-[(3R)-3-amino-3-methylpiperidin-1-yl]-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]purin-6-amine
CID 167180587
(1R)-1-[(3R)-3-amino-1-[4-[(6-aminopurin-9-yl)methyl]-6-(5-fluoro-2-pyridinyl)-3-pyridinyl]piperidin-3-yl]-2,2-difluoroethanol
CID 164850545
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647
9-[[5-[(3R)-3-amino-2-(2,2-difluoroethoxymethyl)piperidin-1-yl]-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]purin-6-amine
CID 167289124
(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine
CID 141361205

Frequently Asked Questions

What is the IUPAC name of 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine?
The IUPAC name of 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine (CID 175788389) is 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine?
The canonical SMILES for 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine is Nc1ncnc2c1ncn2Cc1ccncc1N1CCCC(N)C1.
What is the InChIKey of 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine?
The InChIKey is XHIUOCCBLLAHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c17-12-2-1-5-23(8-12)13-6-19-4-3-11(13)7-24-10-22-14-15(18)20-9-21-16(14)24/h3-4,6,9-10,12H,1-2,5,7-8,17H2,(H2,18,20,21).
What are the key properties of 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine?
9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine has a molecular weight of 324.39 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine is sourced from PubChem (CID 175788389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).