N-pyrimidin-2-ylbutanamide

C8H11N3O — CID 4220870

IUPACN-pyrimidin-2-ylbutanamide
SMILESCCCC(=O)Nc1ncccn1
InChIInChI=1S/C8H11N3O/c1-2-4-7(12)11-8-9-5-3-6-10-8/h3,5-6H,2,4H2,1H3,(H,9,10,11,12)
InChIKeyLLOPBTAFNVCFOF-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.22
Rot. Bonds3

About N-pyrimidin-2-ylbutanamide

N-pyrimidin-2-ylbutanamide (PubChem CID 4220870) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-pyrimidin-2-ylbutanamide.

Molecular Properties

Compound NameN-pyrimidin-2-ylbutanamide
PubChem CID4220870
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-pyrimidin-2-ylbutanamide
SMILESCCCC(=O)Nc1ncccn1
InChIInChI=1S/C8H11N3O/c1-2-4-7(12)11-8-9-5-3-6-10-8/h3,5-6H,2,4H2,1H3,(H,9,10,11,12)
InChIKeyLLOPBTAFNVCFOF-UHFFFAOYSA-N
XLogP1.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylbutanamide?
The IUPAC name of N-pyrimidin-2-ylbutanamide (CID 4220870) is N-pyrimidin-2-ylbutanamide.
What is the SMILES notation for N-pyrimidin-2-ylbutanamide?
The canonical SMILES for N-pyrimidin-2-ylbutanamide is CCCC(=O)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-ylbutanamide?
The InChIKey is LLOPBTAFNVCFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-4-7(12)11-8-9-5-3-6-10-8/h3,5-6H,2,4H2,1H3,(H,9,10,11,12).
What are the key properties of N-pyrimidin-2-ylbutanamide?
N-pyrimidin-2-ylbutanamide has a molecular weight of 165.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylbutanamide is sourced from PubChem (CID 4220870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).