ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate

C22H25Cl2N5O5 — CID 121468243

IUPACethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)cc2CC)C1=O
InChIInChI=1S/C22H25Cl2N5O5/c1-3-14-11-15(28(9-10-30)21(32)18-19(23)25-13-26-20(18)24)5-6-16(14)29-8-7-27(22(29)33)12-17(31)34-4-2/h5-6,11,13,30H,3-4,7-10,12H2,1-2H3
InChIKeyJDJZPLGKBMAIQO-UHFFFAOYSA-N
MW510.38 g/mol
LogP2.79
Rot. Bonds9

About ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate

ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate (PubChem CID 121468243) has the molecular formula C22H25Cl2N5O5 and a molecular weight of 510.38 g/mol. Its IUPAC name is ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate
PubChem CID121468243
Molecular FormulaC22H25Cl2N5O5
Molecular Weight510.38 g/mol
Exact Mass509.12
IUPAC Nameethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)cc2CC)C1=O
InChIInChI=1S/C22H25Cl2N5O5/c1-3-14-11-15(28(9-10-30)21(32)18-19(23)25-13-26-20(18)24)5-6-16(14)29-8-7-27(22(29)33)12-17(31)34-4-2/h5-6,11,13,30H,3-4,7-10,12H2,1-2H3
InChIKeyJDJZPLGKBMAIQO-UHFFFAOYSA-N
XLogP2.79
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-(3-(4-(4,6-dichloro-N-(2-hydroxyethyl)pyrimidine-5-carboxamido)-2-fluorophenyl)-2-oxoimidazolidin-1-yl)acetate
CID 117923314
4,6-dichloro-N-(3,5-dimethyl-4-(2-oxo-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)phenyl)-N-(2-hydroxyethyl)pyrimidine-5-carboxamide
CID 117923342
Ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate
CID 123953704
2-[3-[4-[2-[Tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]butanoic acid
CID 173641054
methyl 2-(N-(2,4-dichloropyrimidine-5-carbonyl)-2,6-dimethylanilino)propanoate
CID 20324545
4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 88898490
4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide
CID 89256017
4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide
CID 89256072
Ethyl 2-[6-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate
CID 89256092
Ethyl 3-[3-[2-chloro-4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]phenyl]-2-oxoimidazolidin-1-yl]propanoate
CID 117923275
ethyl 2-(3-(2-chloro-4-(4,6-dichloro-N-(2-hydroxyethyl)pyrimidine-5-carboxamido)phenyl)-2-oxoimidazolidin-1-yl)acetate
CID 117923306
ethyl 2-(3-(4-(4,6-dichloro-N-(2-hydroxyethyl)pyrimidine-5-carboxamido)phenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl)acetate
CID 117923355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate (CID 121468243) is ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)cc2CC)C1=O.
What is the InChIKey of ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is JDJZPLGKBMAIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O5/c1-3-14-11-15(28(9-10-30)21(32)18-19(23)25-13-26-20(18)24)5-6-16(14)29-8-7-27(22(29)33)12-17(31)34-4-2/h5-6,11,13,30H,3-4,7-10,12H2,1-2H3.
What are the key properties of ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate?
ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 510.38 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[4-[(4,6-dichloropyrimidine-5-carbonyl)-(2-hydroxyethyl)amino]-2-ethylphenyl]-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 121468243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).