ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

C17H19N7O3 — CID 46349796

IUPACethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(N2CCN(c3ncccn3)CC2)c2c(C)noc2n1
InChIInChI=1S/C17H19N7O3/c1-3-26-16(25)13-20-14(12-11(2)22-27-15(12)21-13)23-7-9-24(10-8-23)17-18-5-4-6-19-17/h4-6H,3,7-10H2,1-2H3
InChIKeyAUDWMKRXUOAXPU-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.22
Rot. Bonds4

About ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (PubChem CID 46349796) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
PubChem CID46349796
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Nameethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(N2CCN(c3ncccn3)CC2)c2c(C)noc2n1
InChIInChI=1S/C17H19N7O3/c1-3-26-16(25)13-20-14(12-11(2)22-27-15(12)21-13)23-7-9-24(10-8-23)17-18-5-4-6-19-17/h4-6H,3,7-10H2,1-2H3
InChIKeyAUDWMKRXUOAXPU-UHFFFAOYSA-N
XLogP1.22
TPSA110.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (CID 46349796) is ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is CCOC(=O)c1nc(N2CCN(c3ncccn3)CC2)c2c(C)noc2n1.
What is the InChIKey of ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The InChIKey is AUDWMKRXUOAXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-3-26-16(25)13-20-14(12-11(2)22-27-15(12)21-13)23-7-9-24(10-8-23)17-18-5-4-6-19-17/h4-6H,3,7-10H2,1-2H3.
What are the key properties of ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate has a molecular weight of 369.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 46349796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).