ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate

C11H14N2O4 — CID 138968656

IUPACethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-2-17-10(15)6-13-9(14)5-8(7-3-4-7)12-11(13)16/h5,7H,2-4,6H2,1H3,(H,12,16)
InChIKeyJHTJFNPPRYRIGE-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.02
Rot. Bonds4

About ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate

ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate (PubChem CID 138968656) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
PubChem CID138968656
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-2-17-10(15)6-13-9(14)5-8(7-3-4-7)12-11(13)16/h5,7H,2-4,6H2,1H3,(H,12,16)
InChIKeyJHTJFNPPRYRIGE-UHFFFAOYSA-N
XLogP-0.02
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 129463261
6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 122239165
ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate
CID 10729473
ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate
CID 141348755
ethyl 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetate
CID 56633212
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-cyclopropyl-1H-indole-5-carboxylate
CID 155891220
ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate
CID 70023589
ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate
CID 139690765
ethyl 2-(3-cyclopropylpyrazol-1-yl)acetate
CID 25247560
ethyl 2-[2-oxo-4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetate
CID 91506091
ethyl 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetate
CID 10198231

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate (CID 138968656) is ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate is CCOC(=O)Cn1c(=O)cc(C2CC2)[nH]c1=O.
What is the InChIKey of ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The InChIKey is JHTJFNPPRYRIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-10(15)6-13-9(14)5-8(7-3-4-7)12-11(13)16/h5,7H,2-4,6H2,1H3,(H,12,16).
What are the key properties of ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate has a molecular weight of 238.24 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate is sourced from PubChem (CID 138968656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).