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

C7H10N2O3 — CID 642670

IUPAC1-(ethoxymethyl)pyrimidine-2,4-dione
SMILESCCOCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-12-5-9-4-3-6(10)8-7(9)11/h3-4H,2,5H2,1H3,(H,8,10,11)
InChIKeyUNRYGRHRRHNWHF-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.47
Rot. Bonds3

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

1-(ethoxymethyl)pyrimidine-2,4-dione (PubChem CID 642670) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(ethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)pyrimidine-2,4-dione
PubChem CID642670
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(ethoxymethyl)pyrimidine-2,4-dione
SMILESCCOCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-12-5-9-4-3-6(10)8-7(9)11/h3-4H,2,5H2,1H3,(H,8,10,11)
InChIKeyUNRYGRHRRHNWHF-UHFFFAOYSA-N
XLogP-0.47
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Uracil
CID 1174
3-Methyluracil
CID 79066
1,3-Dimethyluracil
CID 70122
1-Methyluracil
CID 12009
1-Ethyluracil
CID 4183135
Stk771272
CID 4015329
6-Amino-1-propyluracil
CID 104562
6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 853899
Tetrahydrofuryluracil
CID 267369
2,4(1H,3H)-Pyrimidinedione, 1-((2-propenyloxy)methyl)-
CID 376599
6-Amino-1-(2-methoxyethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 1644232
1-(2-Hydroxyethyl)pyrimidine-2,4(1H,3H)-dione
CID 11030057

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)pyrimidine-2,4-dione (CID 642670) is 1-(ethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)pyrimidine-2,4-dione is CCOCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is UNRYGRHRRHNWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-12-5-9-4-3-6(10)8-7(9)11/h3-4H,2,5H2,1H3,(H,8,10,11).
What are the key properties of 1-(ethoxymethyl)pyrimidine-2,4-dione?
1-(ethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 642670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).