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

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Related Compounds

ethyl 2-[4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 146223686
S-ethyl 2-[2-(aminomethyl)morpholin-4-yl]pyrimidine-5-carbothioate
CID 143330598
1-(5-ethoxycarbonylpyrimidin-2-yl)azetidine-3-carboxylic acid
CID 176954225
ethyl 2-(3-ethoxycarbonylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 58844943
tert-butyl 2,2,3,3,5,5,6,6-octadeuterio-4-(5-ethoxycarbonylpyrimidin-2-yl)piperazine-1-carboxylate
CID 155795223
ethyl 2-[4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 135372335
ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate
CID 142804810
tert-butyl 3-[(2R)-4-(2-methyl-6-nitro-3-phenoxyphenyl)morpholin-2-yl]propanoate
CID 167544326
2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965247
ethyl 2-[4-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]ethyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 146223682
ethyl 2-(4-formylpiperidin-1-yl)pyrimidine-5-carboxylate
CID 59556290
2-(2-ethylmorpholin-4-yl)pyrimidin-5-amine
CID 61147387

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).