2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde

C8H10N2O3 — CID 21355320

IUPAC2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde
SMILESCc1cc(=O)n(CC=O)c(=O)n1C
InChIInChI=1S/C8H10N2O3/c1-6-5-7(12)10(3-4-11)8(13)9(6)2/h4-5H,3H2,1-2H3
InChIKeyLCHYOLPBIBFKRR-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.95
Rot. Bonds2

About 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde

2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde (PubChem CID 21355320) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde
PubChem CID21355320
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde
SMILESCc1cc(=O)n(CC=O)c(=O)n1C
InChIInChI=1S/C8H10N2O3/c1-6-5-7(12)10(3-4-11)8(13)9(6)2/h4-5H,3H2,1-2H3
InChIKeyLCHYOLPBIBFKRR-UHFFFAOYSA-N
XLogP-0.95
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-6-formyluracil
CID 453093
N(1),N(3)-Diallyl-6-methyluracil
CID 173882
1,6-Dimethyl-3-ethyluracil
CID 21627127
3-Butyl-2,6-dioxopyrimidine-4-carbaldehyde
CID 11805636
1,3-Diethyl-6-methyluracil
CID 12357931
1-(2-Dimethylamino-ethyl)-3,6-dimethyl-1H-pyrimidine-2,4-dione
CID 547155
1-Ethyl-3,6-dimethylpyrimidine-2,4-dione
CID 10866731
1-(2-Hydroxyethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 818132
3-(b-Hydroxyethyl)-1,6-dimethyluracil
CID 12641799
1,6-Dimethyl-3-propyluracil
CID 129659975
1,6-Dimethyl-3-butyluracil
CID 129659983
1-[4-(Diethylamino)butyl]-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 3125138

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde?
The IUPAC name of 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde (CID 21355320) is 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde is Cc1cc(=O)n(CC=O)c(=O)n1C.
What is the InChIKey of 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde?
The InChIKey is LCHYOLPBIBFKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6-5-7(12)10(3-4-11)8(13)9(6)2/h4-5H,3H2,1-2H3.
What are the key properties of 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde?
2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde has a molecular weight of 182.18 g/mol, XLogP of -0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)acetaldehyde is sourced from PubChem (CID 21355320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).