N-(2-pyrimidin-4-ylethyl)formamide

C7H9N3O — CID 57044040

IUPACN-(2-pyrimidin-4-ylethyl)formamide
SMILESO=CNCCc1ccncn1
InChIInChI=1S/C7H9N3O/c11-6-9-4-2-7-1-3-8-5-10-7/h1,3,5-6H,2,4H2,(H,9,11)
InChIKeyKJGVPIXRPHGUGC-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.23
Rot. Bonds4

About N-(2-pyrimidin-4-ylethyl)formamide

N-(2-pyrimidin-4-ylethyl)formamide (PubChem CID 57044040) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-(2-pyrimidin-4-ylethyl)formamide.

Molecular Properties

Compound NameN-(2-pyrimidin-4-ylethyl)formamide
PubChem CID57044040
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-(2-pyrimidin-4-ylethyl)formamide
SMILESO=CNCCc1ccncn1
InChIInChI=1S/C7H9N3O/c11-6-9-4-2-7-1-3-8-5-10-7/h1,3,5-6H,2,4H2,(H,9,11)
InChIKeyKJGVPIXRPHGUGC-UHFFFAOYSA-N
XLogP-0.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrimidin-4-ylethyl)formamide?
The IUPAC name of N-(2-pyrimidin-4-ylethyl)formamide (CID 57044040) is N-(2-pyrimidin-4-ylethyl)formamide.
What is the SMILES notation for N-(2-pyrimidin-4-ylethyl)formamide?
The canonical SMILES for N-(2-pyrimidin-4-ylethyl)formamide is O=CNCCc1ccncn1.
What is the InChIKey of N-(2-pyrimidin-4-ylethyl)formamide?
The InChIKey is KJGVPIXRPHGUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-6-9-4-2-7-1-3-8-5-10-7/h1,3,5-6H,2,4H2,(H,9,11).
What are the key properties of N-(2-pyrimidin-4-ylethyl)formamide?
N-(2-pyrimidin-4-ylethyl)formamide has a molecular weight of 151.17 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrimidin-4-ylethyl)formamide is sourced from PubChem (CID 57044040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).