N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide

C14H23N3O3 — CID 122304247

IUPACN-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
SMILESCCOc1ncc(NC(=O)C(CC)CC)c(OCC)n1
InChIInChI=1S/C14H23N3O3/c1-5-10(6-2)12(18)16-11-9-15-14(20-8-4)17-13(11)19-7-3/h9-10H,5-8H2,1-4H3,(H,16,18)
InChIKeyNDVJYZSJLJXUPX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.65
Rot. Bonds8

About N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide

N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide (PubChem CID 122304247) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
PubChem CID122304247
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
SMILESCCOc1ncc(NC(=O)C(CC)CC)c(OCC)n1
InChIInChI=1S/C14H23N3O3/c1-5-10(6-2)12(18)16-11-9-15-14(20-8-4)17-13(11)19-7-3/h9-10H,5-8H2,1-4H3,(H,16,18)
InChIKeyNDVJYZSJLJXUPX-UHFFFAOYSA-N
XLogP2.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 71807618
N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide
CID 122304288
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
CID 122304432
N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
CID 122304435
1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 122304590
N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304411
N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
CID 122304252
N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122304461
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
1-(3-chloro-4-methylphenyl)-3-(2,4-diethoxypyrimidin-5-yl)urea
CID 122304312
1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea
CID 122304334

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide (CID 122304247) is N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide is CCOc1ncc(NC(=O)C(CC)CC)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide?
The InChIKey is NDVJYZSJLJXUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-10(6-2)12(18)16-11-9-15-14(20-8-4)17-13(11)19-7-3/h9-10H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide?
N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide has a molecular weight of 281.36 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide is sourced from PubChem (CID 122304247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).