1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione

C8H12N2O3 — CID 14843056

IUPAC1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-3-13-5-10-4-6(2)7(11)9-8(10)12/h4H,3,5H2,1-2H3,(H,9,11,12)
InChIKeyAIYBTJYJDFCUSZ-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.16
Rot. Bonds3

About 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione

1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 14843056) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione
PubChem CID14843056
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-3-13-5-10-4-6(2)7(11)9-8(10)12/h4H,3,5H2,1-2H3,(H,9,11,12)
InChIKeyAIYBTJYJDFCUSZ-UHFFFAOYSA-N
XLogP-0.16
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thymine
CID 1135
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
Stk771272
CID 4015329
N,N-Dimethylthymine
CID 78112
3-(Thymin-1'-yl)-2-propenal
CID 6439704
1,1'-Trimethylenebis(thymine)
CID 89902
N-(2-(Hydroxyethoxy)methyl)-5-methyluracil
CID 72358
Tetrahydrofuranylthymine
CID 267376
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(2-propynyl)-
CID 489882
1-(2-Hydroxyethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 566009
1-((Allyloxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 376601

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione (CID 14843056) is 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione is CCOCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is AIYBTJYJDFCUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-13-5-10-4-6(2)7(11)9-8(10)12/h4H,3,5H2,1-2H3,(H,9,11,12).
What are the key properties of 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione?
1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 14843056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).