(3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol

C10H14N6O2 — CID 136675495

IUPAC(3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol
SMILES[H]/N=c1\c2[nH]cnc2ncn1[C@H]1C[C@@H](N)[C@H](O)CO1
InChIInChI=1S/C10H14N6O2/c11-5-1-7(18-2-6(5)17)16-4-15-10-8(9(16)12)13-3-14-10/h3-7,12,17H,1-2,11H2,(H,13,14)/b12-9+/t5-,6-,7-/m1/s1
InChIKeyQQFOGQHAVQMREN-YGGOLVSHSA-N
MW250.26 g/mol
LogP-1.15
Rot. Bonds1

About (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol

(3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol (PubChem CID 136675495) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol.

Molecular Properties

Compound Name(3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol
PubChem CID136675495
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name(3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol
SMILES[H]/N=c1\c2[nH]cnc2ncn1[C@H]1C[C@@H](N)[C@H](O)CO1
InChIInChI=1S/C10H14N6O2/c11-5-1-7(18-2-6(5)17)16-4-15-10-8(9(16)12)13-3-14-10/h3-7,12,17H,1-2,11H2,(H,13,14)/b12-9+/t5-,6-,7-/m1/s1
InChIKeyQQFOGQHAVQMREN-YGGOLVSHSA-N
XLogP-1.15
TPSA125.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol with MolForge

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Related Compounds

[(3R,3aR,5R,6aR)-5-(6-imino-7H-purin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methanol
CID 136715706
[(2S,6S)-2-(6-imino-7H-purin-1-yl)-3,6-dihydro-2H-pyran-6-yl]methanol
CID 135856465
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-1-yl)oxolane-3,4-diol
CID 135506513
1-(trideuterio(113C)methyl)-7H-purin-6-imine
CID 169443101
trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol
CID 136679568
2-hydroxy-3-(6-imino-7H-purin-1-yl)propanoic acid
CID 136704244
6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine
CID 135815815
3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol
CID 141391153
[2-(7H-purin-6-yl)cyclopropyl]methanol
CID 74347683
5-aminooxan-3-ol;methanol;7H-purin-6-amine
CID 176998987
7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135692532
(3S)-2-(7H-purin-6-yl)oxolan-3-amine
CID 86585157

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol?
The IUPAC name of (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol (CID 136675495) is (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol.
What is the SMILES notation for (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol?
The canonical SMILES for (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol is [H]/N=c1\c2[nH]cnc2ncn1[C@H]1C[C@@H](N)[C@H](O)CO1.
What is the InChIKey of (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol?
The InChIKey is QQFOGQHAVQMREN-YGGOLVSHSA-N. The full InChI is InChI=1S/C10H14N6O2/c11-5-1-7(18-2-6(5)17)16-4-15-10-8(9(16)12)13-3-14-10/h3-7,12,17H,1-2,11H2,(H,13,14)/b12-9+/t5-,6-,7-/m1/s1.
What are the key properties of (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol?
(3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol has a molecular weight of 250.26 g/mol, XLogP of -1.15, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol is sourced from PubChem (CID 136675495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).