4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde

C7H9N3O2 — CID 137272931

IUPAC4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCCNc1nc[nH]c(=O)c1C=O
InChIInChI=1S/C7H9N3O2/c1-2-8-6-5(3-11)7(12)10-4-9-6/h3-4H,2H2,1H3,(H2,8,9,10,12)
InChIKeySEVDMUGBISUVJB-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.01
Rot. Bonds3

About 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde

4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde (PubChem CID 137272931) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
PubChem CID137272931
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCCNc1nc[nH]c(=O)c1C=O
InChIInChI=1S/C7H9N3O2/c1-2-8-6-5(3-11)7(12)10-4-9-6/h3-4H,2H2,1H3,(H2,8,9,10,12)
InChIKeySEVDMUGBISUVJB-UHFFFAOYSA-N
XLogP0.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.01
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 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde (CID 137272931) is 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde is CCNc1nc[nH]c(=O)c1C=O.
What is the InChIKey of 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The InChIKey is SEVDMUGBISUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-8-6-5(3-11)7(12)10-4-9-6/h3-4H,2H2,1H3,(H2,8,9,10,12).
What are the key properties of 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde has a molecular weight of 167.17 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 137272931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).