ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate

C18H27N3O5 — CID 159817251

IUPACethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOC(CCC(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C18H27N3O5/c1-5-24-16(23)13-10-19-17(20-11-13)21-8-9-25-14(12-21)6-7-15(22)26-18(2,3)4/h10-11,14H,5-9,12H2,1-4H3
InChIKeyNLTQRSBHADNCNK-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.98
Rot. Bonds6

About ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate

ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate (PubChem CID 159817251) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate
PubChem CID159817251
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Nameethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOC(CCC(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C18H27N3O5/c1-5-24-16(23)13-10-19-17(20-11-13)21-8-9-25-14(12-21)6-7-15(22)26-18(2,3)4/h10-11,14H,5-9,12H2,1-4H3
InChIKeyNLTQRSBHADNCNK-UHFFFAOYSA-N
XLogP1.98
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-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 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate (CID 159817251) is ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CCOC(CCC(=O)OC(C)(C)C)C2)nc1.
What is the InChIKey of ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate?
The InChIKey is NLTQRSBHADNCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-5-24-16(23)13-10-19-17(20-11-13)21-8-9-25-14(12-21)6-7-15(22)26-18(2,3)4/h10-11,14H,5-9,12H2,1-4H3.
What are the key properties of ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate?
ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate is sourced from PubChem (CID 159817251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).