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

C13H19N3O3 — CID 122304432

IUPACN-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
SMILESCCOc1ncc(NC(=O)C2CCC2)c(OCC)n1
InChIInChI=1S/C13H19N3O3/c1-3-18-12-10(8-14-13(16-12)19-4-2)15-11(17)9-6-5-7-9/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyUVUPQHTVGFUAPN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.01
Rot. Bonds6

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

N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide (PubChem CID 122304432) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
PubChem CID122304432
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
SMILESCCOc1ncc(NC(=O)C2CCC2)c(OCC)n1
InChIInChI=1S/C13H19N3O3/c1-3-18-12-10(8-14-13(16-12)19-4-2)15-11(17)9-6-5-7-9/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyUVUPQHTVGFUAPN-UHFFFAOYSA-N
XLogP2.01
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
N-(2-ethoxypyrimidin-5-yl)cyclopropanecarboxamide
CID 122301831
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122304461
1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 71807618
N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
CID 122304435
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
CID 122304593
N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide
CID 122304288
N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide
CID 122304420
1-(3-chloro-4-methylphenyl)-3-(2,4-diethoxypyrimidin-5-yl)urea
CID 122304312

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide (CID 122304432) is N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide is CCOc1ncc(NC(=O)C2CCC2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide?
The InChIKey is UVUPQHTVGFUAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-18-12-10(8-14-13(16-12)19-4-2)15-11(17)9-6-5-7-9/h8-9H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide?
N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.01, 6 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)cyclobutanecarboxamide is sourced from PubChem (CID 122304432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).