5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde

C7H8N2O3 — CID 143973165

IUPAC5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde
SMILESCc1nc(C=O)c(CO)c(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4-8-6(3-11)5(2-10)7(12)9-4/h3,10H,2H2,1H3,(H,8,9,12)
InChIKeyZAOJCNGLFIEZBI-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.62
Rot. Bonds2

About 5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde

5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde (PubChem CID 143973165) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde
PubChem CID143973165
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde
SMILESCc1nc(C=O)c(CO)c(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4-8-6(3-11)5(2-10)7(12)9-4/h3,10H,2H2,1H3,(H,8,9,12)
InChIKeyZAOJCNGLFIEZBI-UHFFFAOYSA-N
XLogP-0.62
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde (CID 143973165) is 5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde is Cc1nc(C=O)c(CO)c(=O)[nH]1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde?
The InChIKey is ZAOJCNGLFIEZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-8-6(3-11)5(2-10)7(12)9-4/h3,10H,2H2,1H3,(H,8,9,12).
What are the key properties of 5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde?
5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde has a molecular weight of 168.15 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde is sourced from PubChem (CID 143973165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).