ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate

C15H22N4O5 — CID 46390722

IUPACethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNC(=O)Nc2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C15H22N4O5/c1-2-24-13(21)10-5-3-9(4-6-10)7-16-14(22)18-11-8-17-15(23)19-12(11)20/h8-10H,2-7H2,1H3,(H2,16,18,22)(H2,17,19,20,23)
InChIKeySAVIZGXLSWAXQK-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.55
Rot. Bonds5

About ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate

ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate (PubChem CID 46390722) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate
PubChem CID46390722
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Nameethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNC(=O)Nc2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C15H22N4O5/c1-2-24-13(21)10-5-3-9(4-6-10)7-16-14(22)18-11-8-17-15(23)19-12(11)20/h8-10H,2-7H2,1H3,(H2,16,18,22)(H2,17,19,20,23)
InChIKeySAVIZGXLSWAXQK-UHFFFAOYSA-N
XLogP0.55
TPSA133.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate (CID 46390722) is ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CNC(=O)Nc2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate?
The InChIKey is SAVIZGXLSWAXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5/c1-2-24-13(21)10-5-3-9(4-6-10)7-16-14(22)18-11-8-17-15(23)19-12(11)20/h8-10H,2-7H2,1H3,(H2,16,18,22)(H2,17,19,20,23).
What are the key properties of ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate?
ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 46390722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).