ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate

C19H24N4O3 — CID 91776475

IUPACethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1
InChIInChI=1S/C19H24N4O3/c1-3-26-19(24)23-10-8-22(9-11-23)14-15-12-20-18(21-13-15)16-4-6-17(25-2)7-5-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyUEZSQFGNYIDNGX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.43
Rot. Bonds5

About ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate (PubChem CID 91776475) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate
PubChem CID91776475
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1
InChIInChI=1S/C19H24N4O3/c1-3-26-19(24)23-10-8-22(9-11-23)14-15-12-20-18(21-13-15)16-4-6-17(25-2)7-5-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyUEZSQFGNYIDNGX-UHFFFAOYSA-N
XLogP2.43
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]azepan-4-amine
CID 74232657
ethyl 4-[(3-amino-5-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 107876878
ethyl 4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carboxylate chloride
CID 53350490
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107876899
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide
CID 46955109
1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46963062
ethyl 4-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 118306948
2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine
CID 74250827
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 6620519
ethyl 4-[(3-methoxycarbonylphenyl)methyl]piperazine-1-carboxylate
CID 78789966

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate (CID 91776475) is ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate?
The InChIKey is UEZSQFGNYIDNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-26-19(24)23-10-8-22(9-11-23)14-15-12-20-18(21-13-15)16-4-6-17(25-2)7-5-16/h4-7,12-13H,3,8-11,14H2,1-2H3.
What are the key properties of ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 91776475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).