1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde

C9H12N2O5 — CID 102394644

IUPAC1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde
SMILESCOCn1c(C=O)cc(=O)n(COC)c1=O
InChIInChI=1S/C9H12N2O5/c1-15-5-10-7(4-12)3-8(13)11(6-16-2)9(10)14/h3-4H,5-6H2,1-2H3
InChIKeyDMLIXRSSKCXCDC-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.97
Rot. Bonds5

About 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde

1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde (PubChem CID 102394644) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde
PubChem CID102394644
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde
SMILESCOCn1c(C=O)cc(=O)n(COC)c1=O
InChIInChI=1S/C9H12N2O5/c1-15-5-10-7(4-12)3-8(13)11(6-16-2)9(10)14/h3-4H,5-6H2,1-2H3
InChIKeyDMLIXRSSKCXCDC-UHFFFAOYSA-N
XLogP-0.97
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-6-formyluracil
CID 453093
3-methyl-2,4-dioxo-1H-pyrimidine-6-carbaldehyde
CID 20202684
2-(3,4-Dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde
CID 21355320
1-Ethyl-3-methylphosphanyl-2,6-dioxopyrimidine-4-carbaldehyde
CID 58730509
3-ethyl-2,4-dioxo-1H-pyrimidine-6-carbaldehyde
CID 59550685
1,3-Bis(1-methoxyethyl)-6-methylpyrimidine-2,4-dione
CID 69181242
3-Butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde
CID 89063573
1,3-Dibutyl-2,6-dioxopyrimidine-4-carbaldehyde
CID 89063587
1,3-Diethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
CID 118658519
3-Methyl-2,6-dioxopyrimidine-4-carbaldehyde
CID 141247355
1-(Ethoxymethyl)-3,6-dimethylpyrimidine-2,4-dione
CID 176003389
CID 101200173
CID 101200173

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde?
The IUPAC name of 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde (CID 102394644) is 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde.
What is the SMILES notation for 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde?
The canonical SMILES for 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde is COCn1c(C=O)cc(=O)n(COC)c1=O.
What is the InChIKey of 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde?
The InChIKey is DMLIXRSSKCXCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-15-5-10-7(4-12)3-8(13)11(6-16-2)9(10)14/h3-4H,5-6H2,1-2H3.
What are the key properties of 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde?
1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde has a molecular weight of 228.20 g/mol, XLogP of -0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methoxymethyl)-2,6-dioxopyrimidine-4-carbaldehyde is sourced from PubChem (CID 102394644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).