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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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).