5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde

C6H6N2O2 — CID 123789546

IUPAC5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde
SMILESCc1cnc(C=O)[nH]c1=O
InChIInChI=1S/C6H6N2O2/c1-4-2-7-5(3-9)8-6(4)10/h2-3H,1H3,(H,7,8,10)
InChIKeyJTSOUBHEIWVBIO-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.11
Rot. Bonds1

About 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde

5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde (PubChem CID 123789546) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde
PubChem CID123789546
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde
SMILESCc1cnc(C=O)[nH]c1=O
InChIInChI=1S/C6H6N2O2/c1-4-2-7-5(3-9)8-6(4)10/h2-3H,1H3,(H,7,8,10)
InChIKeyJTSOUBHEIWVBIO-UHFFFAOYSA-N
XLogP-0.11
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde?
The IUPAC name of 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde (CID 123789546) is 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde?
The canonical SMILES for 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde is Cc1cnc(C=O)[nH]c1=O.
What is the InChIKey of 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde?
The InChIKey is JTSOUBHEIWVBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-4-2-7-5(3-9)8-6(4)10/h2-3H,1H3,(H,7,8,10).
What are the key properties of 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde?
5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde has a molecular weight of 138.13 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxo-1H-pyrimidine-2-carbaldehyde is sourced from PubChem (CID 123789546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).