3-(hydroxymethyl)-1H-pyrimidine-2,4-dione

C5H6N2O3 — CID 20768867

IUPAC3-(hydroxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CO
InChIInChI=1S/C5H6N2O3/c8-3-7-4(9)1-2-6-5(7)10/h1-2,8H,3H2,(H,6,10)
InChIKeyMNVKFSVBYMFYNS-UHFFFAOYSA-N
MW142.11 g/mol
LogP-1.51
Rot. Bonds1

About 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione

3-(hydroxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 20768867) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID20768867
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name3-(hydroxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CO
InChIInChI=1S/C5H6N2O3/c8-3-7-4(9)1-2-6-5(7)10/h1-2,8H,3H2,(H,6,10)
InChIKeyMNVKFSVBYMFYNS-UHFFFAOYSA-N
XLogP-1.51
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione (CID 20768867) is 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1CO.
What is the InChIKey of 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MNVKFSVBYMFYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-3-7-4(9)1-2-6-5(7)10/h1-2,8H,3H2,(H,6,10).
What are the key properties of 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
3-(hydroxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 142.11 g/mol, XLogP of -1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20768867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).