1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione

C11H12N2O4 — CID 121206670

IUPAC1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione
SMILESCc1ccc(-c2cc(=O)[nH]c(=O)n2CCO)o1
InChIInChI=1S/C11H12N2O4/c1-7-2-3-9(17-7)8-6-10(15)12-11(16)13(8)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,12,15,16)
InChIKeyKJVVPNBNDDAVDG-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.10
Rot. Bonds3

About 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione

1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione (PubChem CID 121206670) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione
PubChem CID121206670
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione
SMILESCc1ccc(-c2cc(=O)[nH]c(=O)n2CCO)o1
InChIInChI=1S/C11H12N2O4/c1-7-2-3-9(17-7)8-6-10(15)12-11(16)13(8)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,12,15,16)
InChIKeyKJVVPNBNDDAVDG-UHFFFAOYSA-N
XLogP0.10
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione (CID 121206670) is 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione is Cc1ccc(-c2cc(=O)[nH]c(=O)n2CCO)o1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione?
The InChIKey is KJVVPNBNDDAVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-7-2-3-9(17-7)8-6-10(15)12-11(16)13(8)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,12,15,16).
What are the key properties of 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione?
1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione has a molecular weight of 236.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-(5-methylfuran-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 121206670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).