5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione

C5H6N2O4 — CID 118222562

IUPAC5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(O)O)c(=O)[nH]1
InChIInChI=1S/C5H6N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11)
InChIKeyOYOGICCULFEYME-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.95
Rot. Bonds1

About 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione

5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 118222562) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID118222562
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(O)O)c(=O)[nH]1
InChIInChI=1S/C5H6N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11)
InChIKeyOYOGICCULFEYME-UHFFFAOYSA-N
XLogP-1.95
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione (CID 118222562) is 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C(O)O)c(=O)[nH]1.
What is the InChIKey of 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OYOGICCULFEYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11).
What are the key properties of 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione?
5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 158.11 g/mol, XLogP of -1.95, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihydroxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 118222562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).