8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one

C13H15N3O5 — CID 136736141

IUPAC8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cccc12
InChIInChI=1S/C13H15N3O5/c17-4-8-10(18)11(19)13(21-8)16-7-3-1-2-6-9(7)14-5-15-12(6)20/h1-3,5,8,10-11,13,16-19H,4H2,(H,14,15,20)/t8-,10-,11-,13-/m1/s1
InChIKeyHCKWLYLLPGYXQG-UORFTKCHSA-N
MW293.28 g/mol
LogP-1.23
Rot. Bonds3

About 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one

8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one (PubChem CID 136736141) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one
PubChem CID136736141
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cccc12
InChIInChI=1S/C13H15N3O5/c17-4-8-10(18)11(19)13(21-8)16-7-3-1-2-6-9(7)14-5-15-12(6)20/h1-3,5,8,10-11,13,16-19H,4H2,(H,14,15,20)/t8-,10-,11-,13-/m1/s1
InChIKeyHCKWLYLLPGYXQG-UORFTKCHSA-N
XLogP-1.23
TPSA127.70 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one with MolForge

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Related Compounds

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135407110
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663942
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135483765
9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135885678
9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135928013
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135992491
6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
CID 57112270
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;mercury
CID 175730179
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135463452
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(2-nitroanilino)oxane-3,4,5-triol
CID 7065329
2-(hydroxymethyl)-6-(2-nitroanilino)oxane-3,4,5-triol
CID 2848943
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;ethane
CID 143728569

Frequently Asked Questions

What is the IUPAC name of 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one?
The IUPAC name of 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one (CID 136736141) is 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one is O=c1[nH]cnc2c(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cccc12.
What is the InChIKey of 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one?
The InChIKey is HCKWLYLLPGYXQG-UORFTKCHSA-N. The full InChI is InChI=1S/C13H15N3O5/c17-4-8-10(18)11(19)13(21-8)16-7-3-1-2-6-9(7)14-5-15-12(6)20/h1-3,5,8,10-11,13,16-19H,4H2,(H,14,15,20)/t8-,10-,11-,13-/m1/s1.
What are the key properties of 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one?
8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one has a molecular weight of 293.28 g/mol, XLogP of -1.23, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136736141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).