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

C8H12N2O5 — CID 3000770

IUPAC1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(COC(CO)CO)c(=O)[nH]1
InChIInChI=1S/C8H12N2O5/c11-3-6(4-12)15-5-10-2-1-7(13)9-8(10)14/h1-2,6,11-12H,3-5H2,(H,9,13,14)
InChIKeyGHWIJQWTBHKBBJ-UHFFFAOYSA-N
MW216.19 g/mol
LogP-2.14
Rot. Bonds5

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

1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione (PubChem CID 3000770) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
PubChem CID3000770
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(COC(CO)CO)c(=O)[nH]1
InChIInChI=1S/C8H12N2O5/c11-3-6(4-12)15-5-10-2-1-7(13)9-8(10)14/h1-2,6,11-12H,3-5H2,(H,9,13,14)
InChIKeyGHWIJQWTBHKBBJ-UHFFFAOYSA-N
XLogP-2.14
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione (CID 3000770) is 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione is O=c1ccn(COC(CO)CO)c(=O)[nH]1.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione?
The InChIKey is GHWIJQWTBHKBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c11-3-6(4-12)15-5-10-2-1-7(13)9-8(10)14/h1-2,6,11-12H,3-5H2,(H,9,13,14).
What are the key properties of 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione?
1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione has a molecular weight of 216.19 g/mol, XLogP of -2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3000770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).