2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one

C12H19N3O6 — CID 24740853

IUPAC2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one
SMILESCO[C@@H]1O[C@H](COCCNc2nccc(=O)[nH]2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H19N3O6/c1-19-11-10(18)9(17)7(21-11)6-20-5-4-14-12-13-3-2-8(16)15-12/h2-3,7,9-11,17-18H,4-6H2,1H3,(H2,13,14,15,16)/t7-,9-,10-,11-/m1/s1
InChIKeyBJYMHPFSEWQZLY-QCNRFFRDSA-N
MW301.30 g/mol
LogP-1.71
Rot. Bonds7

About 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one

2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one (PubChem CID 24740853) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one
PubChem CID24740853
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one
SMILESCO[C@@H]1O[C@H](COCCNc2nccc(=O)[nH]2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H19N3O6/c1-19-11-10(18)9(17)7(21-11)6-20-5-4-14-12-13-3-2-8(16)15-12/h2-3,7,9-11,17-18H,4-6H2,1H3,(H2,13,14,15,16)/t7-,9-,10-,11-/m1/s1
InChIKeyBJYMHPFSEWQZLY-QCNRFFRDSA-N
XLogP-1.71
TPSA125.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
phenyl-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]borinic acid
CID 70251608
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl 6-oxo-3,4,6-triphenylhexanoate
CID 132544756
6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylamino]-1H-pyrimidin-2-one
CID 90116262
[(3S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 70987499
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 54180904
(3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol
CID 70409483
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxyoxane-3,4,5-triol
CID 11301152

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one (CID 24740853) is 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one is CO[C@@H]1O[C@H](COCCNc2nccc(=O)[nH]2)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is BJYMHPFSEWQZLY-QCNRFFRDSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-19-11-10(18)9(17)7(21-11)6-20-5-4-14-12-13-3-2-8(16)15-12/h2-3,7,9-11,17-18H,4-6H2,1H3,(H2,13,14,15,16)/t7-,9-,10-,11-/m1/s1.
What are the key properties of 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one?
2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 301.30 g/mol, XLogP of -1.71, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 24740853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).