N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide

C13H21N3O2 — CID 47416531

IUPACN-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)12-14-8-10(9-15-12)16-11(17)6-5-7-18-4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyOMIRMLHULLJMAD-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.14
Rot. Bonds5

About N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide

N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide (PubChem CID 47416531) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide
PubChem CID47416531
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)12-14-8-10(9-15-12)16-11(17)6-5-7-18-4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyOMIRMLHULLJMAD-UHFFFAOYSA-N
XLogP2.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide
CID 47416539
4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
CID 120561407
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide
CID 147160524
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
6-methoxy-N-(5-methyl-2-pyridinyl)hexanamide
CID 158537293
2-amino-N-(2-tert-butylpyrimidin-5-yl)-2-methylpropanamide
CID 119305616
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
CID 54924715
4-[[5-(3-methoxypropylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187377
N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide
CID 47266829
5-methoxy-N-pyrazin-2-ylpentanamide
CID 75485096

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide (CID 47416531) is N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide is COCCCC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide?
The InChIKey is OMIRMLHULLJMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)12-14-8-10(9-15-12)16-11(17)6-5-7-18-4/h8-9H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide?
N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide has a molecular weight of 251.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide is sourced from PubChem (CID 47416531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).