CID 101069459

C15H22N5O6 — CID 101069459

IUPAC—
SMILESCOc1ncnc2c1nc(N([O])C(C)(C)C)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H22N5O6/c1-15(2,3)20(24)14-18-8-11(16-6-17-12(8)25-4)19(14)13-10(23)9(22)7(5-21)26-13/h6-7,9-10,13,21-23H,5H2,1-4H3/t7-,9-,10-,13-/m1/s1
InChIKeyCBOLLRRODFVKLV-QYVSTXNMSA-N
MW368.37 g/mol
LogP-0.60
Rot. Bonds4

About CID 101069459

CID 101069459 (PubChem CID 101069459) has the molecular formula C15H22N5O6 and a molecular weight of 368.37 g/mol.

Molecular Properties

Compound NameCID 101069459
PubChem CID101069459
Molecular FormulaC15H22N5O6
Molecular Weight368.37 g/mol
Exact Mass368.16
IUPAC Name—
SMILESCOc1ncnc2c1nc(N([O])C(C)(C)C)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H22N5O6/c1-15(2,3)20(24)14-18-8-11(16-6-17-12(8)25-4)19(14)13-10(23)9(22)7(5-21)26-13/h6-7,9-10,13,21-23H,5H2,1-4H3/t7-,9-,10-,13-/m1/s1
InChIKeyCBOLLRRODFVKLV-QYVSTXNMSA-N
XLogP-0.60
TPSA145.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5R)-2-(6,8-dimethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59070010
(2R,3R,4S,5R)-2-[8-(dimethylamino)-6-phenylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10937570
methyl 6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-8-carboxylate
CID 70580539
(2R,3R,4S,5R)-2-[6-amino-8-(ethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10403118
(2R,3R,4S,5R)-2-[6,8-bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 57292200
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-[(4-methoxyphenyl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 143152899
(2S,3S,4R,5S)-2-(6-amino-8-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 43811134
(2R,3R,4S,5R)-2-[8-ethynyl-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 20810144
(2S,3S,4R,5S)-2-[6-amino-8-(2-methylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 2815807
(2S,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 7166681
(2R,3R,4S,5R)-2-[6-amino-8-(2-aminoethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 15217086
2-(6-amino-8-prop-2-enoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 155887026

Frequently Asked Questions

What is the IUPAC name of CID 101069459?
The IUPAC name of CID 101069459 (CID 101069459) is not available.
What is the SMILES notation for CID 101069459?
The canonical SMILES for CID 101069459 is COc1ncnc2c1nc(N([O])C(C)(C)C)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of CID 101069459?
The InChIKey is CBOLLRRODFVKLV-QYVSTXNMSA-N. The full InChI is InChI=1S/C15H22N5O6/c1-15(2,3)20(24)14-18-8-11(16-6-17-12(8)25-4)19(14)13-10(23)9(22)7(5-21)26-13/h6-7,9-10,13,21-23H,5H2,1-4H3/t7-,9-,10-,13-/m1/s1.
What are the key properties of CID 101069459?
CID 101069459 has a molecular weight of 368.37 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101069459 is sourced from PubChem (CID 101069459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).