2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde

C7H8N2O2 — CID 130485251

IUPAC2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde
SMILESCc1ccn(CC=O)c(=O)n1
InChIInChI=1S/C7H8N2O2/c1-6-2-3-9(4-5-10)7(11)8-6/h2-3,5H,4H2,1H3
InChIKeyQMQLWRWKESOTSK-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.25
Rot. Bonds2

About 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde

2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde (PubChem CID 130485251) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde
PubChem CID130485251
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde
SMILESCc1ccn(CC=O)c(=O)n1
InChIInChI=1S/C7H8N2O2/c1-6-2-3-9(4-5-10)7(11)8-6/h2-3,5H,4H2,1H3
InChIKeyQMQLWRWKESOTSK-UHFFFAOYSA-N
XLogP-0.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.25
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

2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)acetaldehyde
CID 62016953
3-(4-Methyl-2-oxopyrimidin-1-yl)propanal
CID 130485252

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde?
The IUPAC name of 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde (CID 130485251) is 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde is Cc1ccn(CC=O)c(=O)n1.
What is the InChIKey of 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde?
The InChIKey is QMQLWRWKESOTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-6-2-3-9(4-5-10)7(11)8-6/h2-3,5H,4H2,1H3.
What are the key properties of 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde?
2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde has a molecular weight of 152.15 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxopyrimidin-1-yl)acetaldehyde is sourced from PubChem (CID 130485251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).