N-ethyl-N-pyrimidin-4-ylformamide

C7H9N3O — CID 54106352

IUPACN-ethyl-N-pyrimidin-4-ylformamide
SMILESCCN(C=O)c1ccncn1
InChIInChI=1S/C7H9N3O/c1-2-10(6-11)7-3-4-8-5-9-7/h3-6H,2H2,1H3
InChIKeyAFLHMVIKWBVCCI-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.46
Rot. Bonds3

About N-ethyl-N-pyrimidin-4-ylformamide

N-ethyl-N-pyrimidin-4-ylformamide (PubChem CID 54106352) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-ethyl-N-pyrimidin-4-ylformamide.

Molecular Properties

Compound NameN-ethyl-N-pyrimidin-4-ylformamide
PubChem CID54106352
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-ethyl-N-pyrimidin-4-ylformamide
SMILESCCN(C=O)c1ccncn1
InChIInChI=1S/C7H9N3O/c1-2-10(6-11)7-3-4-8-5-9-7/h3-6H,2H2,1H3
InChIKeyAFLHMVIKWBVCCI-UHFFFAOYSA-N
XLogP0.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.46
H-Bond Donors ≤ 50
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 N-ethyl-N-pyrimidin-4-ylformamide?
The IUPAC name of N-ethyl-N-pyrimidin-4-ylformamide (CID 54106352) is N-ethyl-N-pyrimidin-4-ylformamide.
What is the SMILES notation for N-ethyl-N-pyrimidin-4-ylformamide?
The canonical SMILES for N-ethyl-N-pyrimidin-4-ylformamide is CCN(C=O)c1ccncn1.
What is the InChIKey of N-ethyl-N-pyrimidin-4-ylformamide?
The InChIKey is AFLHMVIKWBVCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-10(6-11)7-3-4-8-5-9-7/h3-6H,2H2,1H3.
What are the key properties of N-ethyl-N-pyrimidin-4-ylformamide?
N-ethyl-N-pyrimidin-4-ylformamide has a molecular weight of 151.17 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pyrimidin-4-ylformamide is sourced from PubChem (CID 54106352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).