6-hydroxy-1,6-dihydropyrimidine-2,5-dione

C4H4N2O3 — CID 141306716

IUPAC6-hydroxy-1,6-dihydropyrimidine-2,5-dione
SMILESO=C1N=CC(=O)C(O)N1
InChIInChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,3,8H,(H,6,9)
InChIKeyIIUOZBRTCKVVNZ-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.33
Rot. Bonds

About 6-hydroxy-1,6-dihydropyrimidine-2,5-dione

6-hydroxy-1,6-dihydropyrimidine-2,5-dione (PubChem CID 141306716) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 6-hydroxy-1,6-dihydropyrimidine-2,5-dione.

Molecular Properties

Compound Name6-hydroxy-1,6-dihydropyrimidine-2,5-dione
PubChem CID141306716
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name6-hydroxy-1,6-dihydropyrimidine-2,5-dione
SMILESO=C1N=CC(=O)C(O)N1
InChIInChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,3,8H,(H,6,9)
InChIKeyIIUOZBRTCKVVNZ-UHFFFAOYSA-N
XLogP-1.33
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde
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4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one
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3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one
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4-hydroxy-4H-pyridin-3-one
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(5S)-5-hydroxyimidazolidine-2,4-dione
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4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-one;yttrium
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4-amino-1,7a-dihydrobenzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,6-dihydropyrimidine-2,5-dione?
The IUPAC name of 6-hydroxy-1,6-dihydropyrimidine-2,5-dione (CID 141306716) is 6-hydroxy-1,6-dihydropyrimidine-2,5-dione.
What is the SMILES notation for 6-hydroxy-1,6-dihydropyrimidine-2,5-dione?
The canonical SMILES for 6-hydroxy-1,6-dihydropyrimidine-2,5-dione is O=C1N=CC(=O)C(O)N1.
What is the InChIKey of 6-hydroxy-1,6-dihydropyrimidine-2,5-dione?
The InChIKey is IIUOZBRTCKVVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,3,8H,(H,6,9).
What are the key properties of 6-hydroxy-1,6-dihydropyrimidine-2,5-dione?
6-hydroxy-1,6-dihydropyrimidine-2,5-dione has a molecular weight of 128.09 g/mol, XLogP of -1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,6-dihydropyrimidine-2,5-dione is sourced from PubChem (CID 141306716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).