4-amino-2-oxopyrimidine-1-carbaldehyde

C5H5N3O2 — CID 57449274

IUPAC4-amino-2-oxopyrimidine-1-carbaldehyde
SMILESNc1ccn(C=O)c(=O)n1
InChIInChI=1S/C5H5N3O2/c6-4-1-2-8(3-9)5(10)7-4/h1-3H,(H2,6,7,10)
InChIKeyHWUXRPUNQSGFKH-UHFFFAOYSA-N
MW139.11 g/mol
LogP-1.14
Rot. Bonds1

About 4-amino-2-oxopyrimidine-1-carbaldehyde

4-amino-2-oxopyrimidine-1-carbaldehyde (PubChem CID 57449274) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 4-amino-2-oxopyrimidine-1-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-oxopyrimidine-1-carbaldehyde
PubChem CID57449274
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name4-amino-2-oxopyrimidine-1-carbaldehyde
SMILESNc1ccn(C=O)c(=O)n1
InChIInChI=1S/C5H5N3O2/c6-4-1-2-8(3-9)5(10)7-4/h1-3H,(H2,6,7,10)
InChIKeyHWUXRPUNQSGFKH-UHFFFAOYSA-N
XLogP-1.14
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxopyrimidine-1-carbaldehyde?
The IUPAC name of 4-amino-2-oxopyrimidine-1-carbaldehyde (CID 57449274) is 4-amino-2-oxopyrimidine-1-carbaldehyde.
What is the SMILES notation for 4-amino-2-oxopyrimidine-1-carbaldehyde?
The canonical SMILES for 4-amino-2-oxopyrimidine-1-carbaldehyde is Nc1ccn(C=O)c(=O)n1.
What is the InChIKey of 4-amino-2-oxopyrimidine-1-carbaldehyde?
The InChIKey is HWUXRPUNQSGFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-4-1-2-8(3-9)5(10)7-4/h1-3H,(H2,6,7,10).
What are the key properties of 4-amino-2-oxopyrimidine-1-carbaldehyde?
4-amino-2-oxopyrimidine-1-carbaldehyde has a molecular weight of 139.11 g/mol, XLogP of -1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxopyrimidine-1-carbaldehyde is sourced from PubChem (CID 57449274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).