3-methyl-2,6-dioxopyrimidine-4-carbaldehyde

C6H6N2O3 — CID 141247355

IUPAC3-methyl-2,6-dioxopyrimidine-4-carbaldehyde
SMILESCn1c(C=O)cc(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O3/c1-8-4(3-9)2-5(10)7-6(8)11/h2-3H,1H3,(H,7,10,11)
InChIKeyCKNNTNBITXIYHJ-UHFFFAOYSA-N
MW154.12 g/mol
LogP-1.11
Rot. Bonds1

About 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde

3-methyl-2,6-dioxopyrimidine-4-carbaldehyde (PubChem CID 141247355) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2,6-dioxopyrimidine-4-carbaldehyde
PubChem CID141247355
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name3-methyl-2,6-dioxopyrimidine-4-carbaldehyde
SMILESCn1c(C=O)cc(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O3/c1-8-4(3-9)2-5(10)7-6(8)11/h2-3H,1H3,(H,7,10,11)
InChIKeyCKNNTNBITXIYHJ-UHFFFAOYSA-N
XLogP-1.11
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Formyluracil
CID 70951
1,3-Dimethyl-6-formyluracil
CID 453093
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
CID 88193
N,N-Dimethylorotsaureamid
CID 60637058
4-Pyrimidinecarboxamide, 1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-
CID 12490680
1(2h)-Pyrimidineacetaldehyde, 3,4-dihydro-2,4-dioxo-
CID 253155
1,6-Dimethyluracil
CID 10606818
3-Butyl-2,6-dioxopyrimidine-4-carbaldehyde
CID 11805636
6-(Fluoromethyl)-1-methylpyrimidine-2,4-dione
CID 89104245
6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 170095961
4-Pyrimidinecarboxaldehyde, 1-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-2,6-dioxo-
CID 3015674
3-Methyl-6-oxo-2-sulfanylidenepyrimidine-4-carbaldehyde
CID 3495885

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde?
The IUPAC name of 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde (CID 141247355) is 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde.
What is the SMILES notation for 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde?
The canonical SMILES for 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde is Cn1c(C=O)cc(=O)[nH]c1=O.
What is the InChIKey of 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde?
The InChIKey is CKNNTNBITXIYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-8-4(3-9)2-5(10)7-6(8)11/h2-3H,1H3,(H,7,10,11).
What are the key properties of 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde?
3-methyl-2,6-dioxopyrimidine-4-carbaldehyde has a molecular weight of 154.12 g/mol, XLogP of -1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-dioxopyrimidine-4-carbaldehyde is sourced from PubChem (CID 141247355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).