2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde

C8H10N2O2 — CID 62016953

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde
SMILESCc1cc(C)n(CC=O)c(=O)n1
InChIInChI=1S/C8H10N2O2/c1-6-5-7(2)10(3-4-11)8(12)9-6/h4-5H,3H2,1-2H3
InChIKeyWKGMGWQMONKBJV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.06
Rot. Bonds2

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

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde (PubChem CID 62016953) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde
PubChem CID62016953
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde
SMILESCc1cc(C)n(CC=O)c(=O)n1
InChIInChI=1S/C8H10N2O2/c1-6-5-7(2)10(3-4-11)8(12)9-6/h4-5H,3H2,1-2H3
InChIKeyWKGMGWQMONKBJV-UHFFFAOYSA-N
XLogP0.06
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-4,6-dimethyl-2-oxopyrimidine
CID 175647239
Ethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 13306028
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)acetate
CID 4120140
4,6-Dimethyl-1-(2-oxopropyl)pyrimidin-2(1H)-one
CID 12613592
4,6-Dimethyl-1-(2-oxobutyl)pyrimidin-2-one
CID 62038268
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanal
CID 63041508
2-(5-Bromo-4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde
CID 81694510
1-(3-Methoxy-2-oxopropyl)-4,6-dimethylpyrimidin-2-one
CID 107507633
2-(4-Methyl-2-oxopyrimidin-1-yl)acetaldehyde
CID 130485251

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde (CID 62016953) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde is Cc1cc(C)n(CC=O)c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde?
The InChIKey is WKGMGWQMONKBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-5-7(2)10(3-4-11)8(12)9-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetaldehyde is sourced from PubChem (CID 62016953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).