(3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol

C15H20N8O — CID 110146323

IUPAC(3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol
SMILESC[C@@]1(O)CN(Cc2cnc[nH]2)CC[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C15H20N8O/c1-15(24)6-22(5-10-4-17-7-18-10)3-2-11(15)23-9-21-12-13(16)19-8-20-14(12)23/h4,7-9,11,24H,2-3,5-6H2,1H3,(H,17,18)(H2,16,19,20)/t11-,15-/m1/s1
InChIKeyAKUKTKQBIDCFHR-IAQYHMDHSA-N
MW328.38 g/mol
LogP0.33
Rot. Bonds3

About (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol

(3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol (PubChem CID 110146323) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol
PubChem CID110146323
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name(3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol
SMILESC[C@@]1(O)CN(Cc2cnc[nH]2)CC[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C15H20N8O/c1-15(24)6-22(5-10-4-17-7-18-10)3-2-11(15)23-9-21-12-13(16)19-8-20-14(12)23/h4,7-9,11,24H,2-3,5-6H2,1H3,(H,17,18)(H2,16,19,20)/t11-,15-/m1/s1
InChIKeyAKUKTKQBIDCFHR-IAQYHMDHSA-N
XLogP0.33
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol with MolForge

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Related Compounds

(3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 110146557
(3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol
CID 110146308
1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141186691
(2S)-2-amino-1-[(3R,4R)-4-(6-aminopurin-9-yl)-3-hydroxy-3-methylpiperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 110154498
(3R,4R)-3-(6-aminopurin-9-yl)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-ol
CID 110146559
(1R,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-3-methylcyclopentane-1,2-diol
CID 102512363
(3S,4S)-3-(6-aminopurin-9-yl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;dihydrochloride
CID 171687463
2-[2-[(3R,4S)-4-(6-aminopurin-9-yl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethoxy]acetic acid
CID 110158230
5-[(3R,4S)-4-(6-aminopurin-9-yl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5-oxopentanoic acid
CID 110158219
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 506144
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol (CID 110146323) is (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol is C[C@@]1(O)CN(Cc2cnc[nH]2)CC[C@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol?
The InChIKey is AKUKTKQBIDCFHR-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H20N8O/c1-15(24)6-22(5-10-4-17-7-18-10)3-2-11(15)23-9-21-12-13(16)19-8-20-14(12)23/h4,7-9,11,24H,2-3,5-6H2,1H3,(H,17,18)(H2,16,19,20)/t11-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol?
(3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol has a molecular weight of 328.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 110146323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).