5-(ethoxymethyl)-1H-pyrimidine-2,4-dione

C7H10N2O3 — CID 6620566

IUPAC5-(ethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-12-4-5-3-8-7(11)9-6(5)10/h3H,2,4H2,1H3,(H2,8,9,10,11)
InChIKeyJYXYRLZNHMIQAN-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.40
Rot. Bonds3

About 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione

5-(ethoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 6620566) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(ethoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID6620566
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name5-(ethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-12-4-5-3-8-7(11)9-6(5)10/h3H,2,4H2,1H3,(H2,8,9,10,11)
InChIKeyJYXYRLZNHMIQAN-UHFFFAOYSA-N
XLogP-0.40
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione (CID 6620566) is 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione is CCOCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JYXYRLZNHMIQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-12-4-5-3-8-7(11)9-6(5)10/h3H,2,4H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione?
5-(ethoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6620566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).