N-pyrimidin-4-ylbutanamide

C8H11N3O — CID 130272746

IUPACN-pyrimidin-4-ylbutanamide
SMILESCCCC(=O)Nc1ccncn1
InChIInChI=1S/C8H11N3O/c1-2-3-8(12)11-7-4-5-9-6-10-7/h4-6H,2-3H2,1H3,(H,9,10,11,12)
InChIKeySAQJJBLZLWZJED-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.22
Rot. Bonds3

About N-pyrimidin-4-ylbutanamide

N-pyrimidin-4-ylbutanamide (PubChem CID 130272746) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-pyrimidin-4-ylbutanamide.

Molecular Properties

Compound NameN-pyrimidin-4-ylbutanamide
PubChem CID130272746
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-pyrimidin-4-ylbutanamide
SMILESCCCC(=O)Nc1ccncn1
InChIInChI=1S/C8H11N3O/c1-2-3-8(12)11-7-4-5-9-6-10-7/h4-6H,2-3H2,1H3,(H,9,10,11,12)
InChIKeySAQJJBLZLWZJED-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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Related Compounds

N-pyrimidin-4-yltetradecanamide
CID 54258014
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
N-methylpyrimidin-4-amine;propanedioic acid
CID 70381240
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
CID 83617917
(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
CID 110837827
2-methyl-3-(methylamino)-N-pyrimidin-4-ylpropanamide
CID 83618247
2-methyl-2-(methylamino)-N-pyrimidin-4-ylpropanamide
CID 83618049
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
ethane;N-ethylpyrimidin-4-amine
CID 167491074

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-ylbutanamide?
The IUPAC name of N-pyrimidin-4-ylbutanamide (CID 130272746) is N-pyrimidin-4-ylbutanamide.
What is the SMILES notation for N-pyrimidin-4-ylbutanamide?
The canonical SMILES for N-pyrimidin-4-ylbutanamide is CCCC(=O)Nc1ccncn1.
What is the InChIKey of N-pyrimidin-4-ylbutanamide?
The InChIKey is SAQJJBLZLWZJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-3-8(12)11-7-4-5-9-6-10-7/h4-6H,2-3H2,1H3,(H,9,10,11,12).
What are the key properties of N-pyrimidin-4-ylbutanamide?
N-pyrimidin-4-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-4-ylbutanamide is sourced from PubChem (CID 130272746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).