ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate

C17H19N3O3 — CID 10267713

IUPACethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)C1CC(c2ccc(OC)cc2)N2C=CN=CC2=N1
InChIInChI=1S/C17H19N3O3/c1-3-23-17(21)14-10-15(12-4-6-13(22-2)7-5-12)20-9-8-18-11-16(20)19-14/h4-9,11,14-15H,3,10H2,1-2H3
InChIKeyATVIAEHXVNZTGX-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.33
Rot. Bonds4

About ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate

ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate (PubChem CID 10267713) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate
PubChem CID10267713
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nameethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)C1CC(c2ccc(OC)cc2)N2C=CN=CC2=N1
InChIInChI=1S/C17H19N3O3/c1-3-23-17(21)14-10-15(12-4-6-13(22-2)7-5-12)20-9-8-18-11-16(20)19-14/h4-9,11,14-15H,3,10H2,1-2H3
InChIKeyATVIAEHXVNZTGX-UHFFFAOYSA-N
XLogP2.33
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-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-ethyl-2-[4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
CID 160837799
4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine
CID 141050665
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762859
ethyl 5-benzoyl-7-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 91358759
ethyl (2S,3S)-3-(4-methoxyphenyl)-1-phenylaziridine-2-carboxylate
CID 15761716
ethyl 2-[7,9-dibromo-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl]cyclopropane-1-carboxylate
CID 69427813
methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate
CID 11724260
ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
CID 59066500
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
ethyl 4-(4-methoxyphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene-2-carboxylate
CID 102040068

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate (CID 10267713) is ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)C1CC(c2ccc(OC)cc2)N2C=CN=CC2=N1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is ATVIAEHXVNZTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-23-17(21)14-10-15(12-4-6-13(22-2)7-5-12)20-9-8-18-11-16(20)19-14/h4-9,11,14-15H,3,10H2,1-2H3.
What are the key properties of ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate?
ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 10267713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).