butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate

C14H20N2O4 — CID 67094429

IUPACbutyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate
SMILESCCCCOC(=O)COc1nc(C2CC2)[nH]c(=O)c1C
InChIInChI=1S/C14H20N2O4/c1-3-4-7-19-11(17)8-20-14-9(2)13(18)15-12(16-14)10-5-6-10/h10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyPRWABNFLYBHQGO-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.68
Rot. Bonds7

About butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate

butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate (PubChem CID 67094429) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate.

Molecular Properties

Compound Namebutyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate
PubChem CID67094429
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namebutyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate
SMILESCCCCOC(=O)COc1nc(C2CC2)[nH]c(=O)c1C
InChIInChI=1S/C14H20N2O4/c1-3-4-7-19-11(17)8-20-14-9(2)13(18)15-12(16-14)10-5-6-10/h10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyPRWABNFLYBHQGO-UHFFFAOYSA-N
XLogP1.68
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[2-cyclopropyl-6-(cyclopropylmethylamino)-5-methylpyrimidin-4-yl]oxyacetate
CID 67094486
butyl (2E)-2-[(8E)-8-(2-butoxy-2-oxoethylidene)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octan-7-ylidene]acetate
CID 23257088
ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate
CID 52935934
butyl 4-oxoazetidine-2-carboxylate
CID 70500424
ethyl 2-butoxyacetate
CID 14419651
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
butyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 14645870
butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
butyl 2-(4-carbamoyl-2,6-dimethylphenoxy)acetate
CID 65453910
(5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate
CID 67426159

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate?
The IUPAC name of butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate (CID 67094429) is butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate.
What is the SMILES notation for butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate?
The canonical SMILES for butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate is CCCCOC(=O)COc1nc(C2CC2)[nH]c(=O)c1C.
What is the InChIKey of butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate?
The InChIKey is PRWABNFLYBHQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-4-7-19-11(17)8-20-14-9(2)13(18)15-12(16-14)10-5-6-10/h10H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate?
butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate has a molecular weight of 280.32 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate is sourced from PubChem (CID 67094429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).