(3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol

C15H18N8O — CID 110146308

IUPAC(3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol
SMILESC[C@@]1(O)CN(c2cnccn2)CC[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C15H18N8O/c1-15(24)7-22(11-6-17-3-4-18-11)5-2-10(15)23-9-21-12-13(16)19-8-20-14(12)23/h3-4,6,8-10,24H,2,5,7H2,1H3,(H2,16,19,20)/t10-,15-/m1/s1
InChIKeyVBXKKNKHRLDRPS-MEBBXXQBSA-N
MW326.36 g/mol
LogP0.40
Rot. Bonds2

About (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol

(3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol (PubChem CID 110146308) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol
PubChem CID110146308
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name(3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol
SMILESC[C@@]1(O)CN(c2cnccn2)CC[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C15H18N8O/c1-15(24)7-22(11-6-17-3-4-18-11)5-2-10(15)23-9-21-12-13(16)19-8-20-14(12)23/h3-4,6,8-10,24H,2,5,7H2,1H3,(H2,16,19,20)/t10-,15-/m1/s1
InChIKeyVBXKKNKHRLDRPS-MEBBXXQBSA-N
XLogP0.40
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol
CID 110146323
(3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 110146557
(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
[(3S,4S)-4-(6-aminopurin-9-yl)-3-hydroxy-3-methylpiperidin-1-yl]-(2-hydroxy-5-propan-2-ylphenyl)methanone
CID 110162106
(3S,4S)-3-(6-aminopurin-9-yl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;dihydrochloride
CID 171687463
(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
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol
CID 18388896
(1R,3R,4R,5R)-3-(6-aminopurin-9-yl)-4-methyl-2-oxabicyclo[3.1.0]hexane-4,5,6-triol
CID 160863617
(1R,2S,4R,5S)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-3-methylbicyclo[3.1.0]hexane-2,3-diol
CID 59157757
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol (CID 110146308) is (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol is C[C@@]1(O)CN(c2cnccn2)CC[C@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol?
The InChIKey is VBXKKNKHRLDRPS-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H18N8O/c1-15(24)7-22(11-6-17-3-4-18-11)5-2-10(15)23-9-21-12-13(16)19-8-20-14(12)23/h3-4,6,8-10,24H,2,5,7H2,1H3,(H2,16,19,20)/t10-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol?
(3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol has a molecular weight of 326.36 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(6-aminopurin-9-yl)-3-methyl-1-pyrazin-2-ylpiperidin-3-ol is sourced from PubChem (CID 110146308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).