ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate

C18H28N4O5 — CID 70434480

IUPACethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate
SMILESCCOC(=O)N=c1cc(N2CCOCC2)nc(C2(CC)CCCCO2)n1O
InChIInChI=1S/C18H28N4O5/c1-3-18(7-5-6-10-27-18)16-19-14(21-8-11-25-12-9-21)13-15(22(16)24)20-17(23)26-4-2/h13,24H,3-12H2,1-2H3
InChIKeyAQPOFSLUJALULD-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.82
Rot. Bonds4

About ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate

ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate (PubChem CID 70434480) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate
PubChem CID70434480
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Nameethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate
SMILESCCOC(=O)N=c1cc(N2CCOCC2)nc(C2(CC)CCCCO2)n1O
InChIInChI=1S/C18H28N4O5/c1-3-18(7-5-6-10-27-18)16-19-14(21-8-11-25-12-9-21)13-15(22(16)24)20-17(23)26-4-2/h13,24H,3-12H2,1-2H3
InChIKeyAQPOFSLUJALULD-UHFFFAOYSA-N
XLogP1.82
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate 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 N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate?
The IUPAC name of ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate (CID 70434480) is ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate.
What is the SMILES notation for ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate?
The canonical SMILES for ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate is CCOC(=O)N=c1cc(N2CCOCC2)nc(C2(CC)CCCCO2)n1O.
What is the InChIKey of ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate?
The InChIKey is AQPOFSLUJALULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-3-18(7-5-6-10-27-18)16-19-14(21-8-11-25-12-9-21)13-15(22(16)24)20-17(23)26-4-2/h13,24H,3-12H2,1-2H3.
What are the key properties of ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate?
ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate has a molecular weight of 380.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-ethyloxan-2-yl)-3-hydroxy-6-morpholin-4-ylpyrimidin-4-ylidene]carbamate is sourced from PubChem (CID 70434480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).