5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione

C10H15N3O5 — CID 123865109

IUPAC5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(O)C(c2c[nH]c(=O)[nH]c2=O)NC(CO)C1O
InChIInChI=1S/C10H15N3O5/c1-10(18)6(12-5(3-14)7(10)15)4-2-11-9(17)13-8(4)16/h2,5-7,12,14-15,18H,3H2,1H3,(H2,11,13,16,17)
InChIKeyXXZRBSTXNGJCGR-UHFFFAOYSA-N
MW257.25 g/mol
LogP-2.82
Rot. Bonds2

About 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione

5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 123865109) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID123865109
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(O)C(c2c[nH]c(=O)[nH]c2=O)NC(CO)C1O
InChIInChI=1S/C10H15N3O5/c1-10(18)6(12-5(3-14)7(10)15)4-2-11-9(17)13-8(4)16/h2,5-7,12,14-15,18H,3H2,1H3,(H2,11,13,16,17)
InChIKeyXXZRBSTXNGJCGR-UHFFFAOYSA-N
XLogP-2.82
TPSA138.44 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (CID 123865109) is 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is CC1(O)C(c2c[nH]c(=O)[nH]c2=O)NC(CO)C1O.
What is the InChIKey of 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is XXZRBSTXNGJCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-10(18)6(12-5(3-14)7(10)15)4-2-11-9(17)13-8(4)16/h2,5-7,12,14-15,18H,3H2,1H3,(H2,11,13,16,17).
What are the key properties of 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of -2.82, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-dihydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 123865109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).