1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione

C9H14N2O6 — CID 11637356

IUPAC1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(CO)CO)cc1CO
InChIInChI=1S/C9H14N2O6/c12-2-6-1-11(9(16)10-8(6)15)5-17-7(3-13)4-14/h1,7,12-14H,2-5H2,(H,10,15,16)
InChIKeyIKKFZBLTLHIJJF-UHFFFAOYSA-N
MW246.22 g/mol
LogP-2.64
Rot. Bonds6

About 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione

1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione (PubChem CID 11637356) has the molecular formula C9H14N2O6 and a molecular weight of 246.22 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione
PubChem CID11637356
Molecular FormulaC9H14N2O6
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(CO)CO)cc1CO
InChIInChI=1S/C9H14N2O6/c12-2-6-1-11(9(16)10-8(6)15)5-17-7(3-13)4-14/h1,7,12-14H,2-5H2,(H,10,15,16)
InChIKeyIKKFZBLTLHIJJF-UHFFFAOYSA-N
XLogP-2.64
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-2.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione (CID 11637356) is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(COC(CO)CO)cc1CO.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione?
The InChIKey is IKKFZBLTLHIJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6/c12-2-6-1-11(9(16)10-8(6)15)5-17-7(3-13)4-14/h1,7,12-14H,2-5H2,(H,10,15,16).
What are the key properties of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione?
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione has a molecular weight of 246.22 g/mol, XLogP of -2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11637356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).