4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one

C14H11N5O4 — CID 4267493

IUPAC4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1C(c1cccnc1)c1c(O)nc[nH]c1=O
InChIInChI=1S/C14H11N5O4/c20-11-9(12(21)17-5-16-11)8(7-2-1-3-15-4-7)10-13(22)18-6-19-14(10)23/h1-6,8H,(H2,16,17,20,21)(H2,18,19,22,23)
InChIKeyXAUODVYPMWCWDM-UHFFFAOYSA-N
MW313.27 g/mol
LogP-0.16
Rot. Bonds3

About 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one

4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one (PubChem CID 4267493) has the molecular formula C14H11N5O4 and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one
PubChem CID4267493
Molecular FormulaC14H11N5O4
Molecular Weight313.27 g/mol
Exact Mass313.08
IUPAC Name4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1C(c1cccnc1)c1c(O)nc[nH]c1=O
InChIInChI=1S/C14H11N5O4/c20-11-9(12(21)17-5-16-11)8(7-2-1-3-15-4-7)10-13(22)18-6-19-14(10)23/h1-6,8H,(H2,16,17,20,21)(H2,18,19,22,23)
InChIKeyXAUODVYPMWCWDM-UHFFFAOYSA-N
XLogP-0.16
TPSA144.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 126106382
2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 171867850
2-[hydroxy(pyridin-3-yl)methyl]-1H-pyridin-4-one
CID 140976722
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167853656
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione
CID 632765
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2,2-dipyridin-3-ylethanol
CID 57450821
2H-pyrrolo[3,4-c]azepin-1-one
CID 151121436

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one (CID 4267493) is 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1C(c1cccnc1)c1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one?
The InChIKey is XAUODVYPMWCWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4/c20-11-9(12(21)17-5-16-11)8(7-2-1-3-15-4-7)10-13(22)18-6-19-14(10)23/h1-6,8H,(H2,16,17,20,21)(H2,18,19,22,23).
What are the key properties of 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one?
4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one has a molecular weight of 313.27 g/mol, XLogP of -0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 4267493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).