ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate

C19H24ClN3O3 — CID 71844743

IUPACethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H24ClN3O3/c1-4-26-18(24)13-23(9-10-25-3)12-17-11-14(2)21-19(22-17)15-5-7-16(20)8-6-15/h5-8,11H,4,9-10,12-13H2,1-3H3
InChIKeyZYNIASXRJUJWIV-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.12
Rot. Bonds9

About ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate

ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate (PubChem CID 71844743) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate
PubChem CID71844743
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Nameethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H24ClN3O3/c1-4-26-18(24)13-23(9-10-25-3)12-17-11-14(2)21-19(22-17)15-5-7-16(20)8-6-15/h5-8,11H,4,9-10,12-13H2,1-3H3
InChIKeyZYNIASXRJUJWIV-UHFFFAOYSA-N
XLogP3.12
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372
(2S,3S)-2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methylamino]-3-methylpentanoic acid
CID 122100310
ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate
CID 63093411
ethyl 2-[2-methoxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]acetate
CID 60528147
ethyl 2-[(4-chloro-2-fluorophenyl)methyl-propylamino]acetate
CID 114857982
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetate
CID 55726013
2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815803
ethyl 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]acetate
CID 86854193
N-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745885
ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
CID 81228292
N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 91774737
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate (CID 71844743) is ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate?
The InChIKey is ZYNIASXRJUJWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-4-26-18(24)13-23(9-10-25-3)12-17-11-14(2)21-19(22-17)15-5-7-16(20)8-6-15/h5-8,11H,4,9-10,12-13H2,1-3H3.
What are the key properties of ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate?
ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate has a molecular weight of 377.87 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 71844743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).