1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione

C6H8N2O4 — CID 131057862

IUPAC1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(O)O)c(=O)[nH]1
InChIInChI=1S/C6H8N2O4/c9-4-1-2-8(3-5(10)11)6(12)7-4/h1-2,5,10-11H,3H2,(H,7,9,12)
InChIKeyOKNYYYAWWSXADD-UHFFFAOYSA-N
MW172.14 g/mol
LogP-2.15
Rot. Bonds2

About 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione

1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione (PubChem CID 131057862) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
PubChem CID131057862
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(O)O)c(=O)[nH]1
InChIInChI=1S/C6H8N2O4/c9-4-1-2-8(3-5(10)11)6(12)7-4/h1-2,5,10-11H,3H2,(H,7,9,12)
InChIKeyOKNYYYAWWSXADD-UHFFFAOYSA-N
XLogP-2.15
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxypropanoate
CID 7297618
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid;hydrate
CID 6431744
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
disodium;1-[2-hydroxy-3-(phosphonatomethylamino)propyl]pyrimidine-2,4-dione
CID 11500754
[3-(2,4-dioxopyrimidin-1-yl)-2-fluoropropoxy]methylphosphonic acid
CID 56946660
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120
1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
CID 177313030
2-benzamido-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 162789611

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione (CID 131057862) is 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione is O=c1ccn(CC(O)O)c(=O)[nH]1.
What is the InChIKey of 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione?
The InChIKey is OKNYYYAWWSXADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-4-1-2-8(3-5(10)11)6(12)7-4/h1-2,5,10-11H,3H2,(H,7,9,12).
What are the key properties of 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione?
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione has a molecular weight of 172.14 g/mol, XLogP of -2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 131057862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).