ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate

C17H24N2O4 — CID 39855324

IUPACethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2
InChIInChI=1S/C17H24N2O4/c1-2-23-15(20)11-18-14-10-6-9-13(14)16(21)19(17(18)22)12-7-4-3-5-8-12/h12H,2-11H2,1H3
InChIKeyISHBGHZHEJIUMC-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.57
Rot. Bonds4

About ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate

ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate (PubChem CID 39855324) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate
PubChem CID39855324
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2
InChIInChI=1S/C17H24N2O4/c1-2-23-15(20)11-18-14-10-6-9-13(14)16(21)19(17(18)22)12-7-4-3-5-8-12/h12H,2-11H2,1H3
InChIKeyISHBGHZHEJIUMC-UHFFFAOYSA-N
XLogP1.57
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate (CID 39855324) is ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate is CCOC(=O)Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2.
What is the InChIKey of ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate?
The InChIKey is ISHBGHZHEJIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-23-15(20)11-18-14-10-6-9-13(14)16(21)19(17(18)22)12-7-4-3-5-8-12/h12H,2-11H2,1H3.
What are the key properties of ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate?
ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate has a molecular weight of 320.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclohexyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetate is sourced from PubChem (CID 39855324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).